From c6fb8907d4f7524a9bba94d99ffae000a08ca92e Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Fri, 11 Jul 2025 09:44:05 +0200 Subject: [PATCH 01/44] Ignore mypy cache and pycache in vs code explorer --- .vscode/settings.json | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/.vscode/settings.json b/.vscode/settings.json index e7db37fb..a0981915 100644 --- a/.vscode/settings.json +++ b/.vscode/settings.json @@ -22,6 +22,8 @@ "**/Thumbs.db": true, ".pixi": true, ".ruff_cache": true, - ".pytest_cache": true + ".pytest_cache": true, + "**/__pycache__": true, + ".mypy_cache": true }, } From 3020f88d42bcfc9b947854b6cb459ce61524466f Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Fri, 11 Jul 2025 09:49:18 +0200 Subject: [PATCH 02/44] Move files that will be generated to the modflow folder --- docs/examples/quickstart.py | 6 ++--- docs/examples/quickstart_expanded.py | 4 ++-- flopy4/mf6/modflow/gwf/__init__.py | 8 +++++++ flopy4/mf6/{ => modflow}/gwf/chd.py | 0 flopy4/mf6/{ => modflow}/gwf/dis.py | 0 flopy4/mf6/{ => modflow}/gwf/drn.py | 0 .../{gwf/__init__.py => modflow/gwf/gwf.py} | 22 +++++++++++-------- flopy4/mf6/{ => modflow}/gwf/ic.py | 0 flopy4/mf6/{ => modflow}/gwf/npf.py | 0 flopy4/mf6/{ => modflow}/gwf/oc.py | 0 flopy4/mf6/{ => modflow}/gwf/rch.py | 0 flopy4/mf6/{ => modflow}/gwf/sto.py | 0 flopy4/mf6/{ => modflow}/gwf/wel.py | 0 flopy4/mf6/{ => modflow}/ims.py | 0 flopy4/mf6/{ => modflow}/simulation.py | 2 +- flopy4/mf6/{ => modflow}/tdis.py | 0 test/test_codec.py | 10 ++++----- test/test_component.py | 8 +++---- test/test_interface.py | 8 +++---- test/test_spec.py | 2 +- 20 files changed, 41 insertions(+), 29 deletions(-) create mode 100644 flopy4/mf6/modflow/gwf/__init__.py rename flopy4/mf6/{ => modflow}/gwf/chd.py (100%) rename flopy4/mf6/{ => modflow}/gwf/dis.py (100%) rename flopy4/mf6/{ => modflow}/gwf/drn.py (100%) rename flopy4/mf6/{gwf/__init__.py => modflow/gwf/gwf.py} (82%) rename flopy4/mf6/{ => modflow}/gwf/ic.py (100%) rename flopy4/mf6/{ => modflow}/gwf/npf.py (100%) rename flopy4/mf6/{ => modflow}/gwf/oc.py (100%) rename flopy4/mf6/{ => modflow}/gwf/rch.py (100%) rename flopy4/mf6/{ => modflow}/gwf/sto.py (100%) rename flopy4/mf6/{ => modflow}/gwf/wel.py (100%) rename flopy4/mf6/{ => modflow}/ims.py (100%) rename flopy4/mf6/{ => modflow}/simulation.py (97%) rename flopy4/mf6/{ => modflow}/tdis.py (100%) diff --git a/docs/examples/quickstart.py b/docs/examples/quickstart.py index 5740a481..e7304e27 100644 --- a/docs/examples/quickstart.py +++ b/docs/examples/quickstart.py @@ -5,9 +5,9 @@ from flopy.discretization.modeltime import ModelTime from flopy.discretization.structuredgrid import StructuredGrid -from flopy4.mf6.gwf import Chd, Gwf, Ic, Npf, Oc -from flopy4.mf6.ims import Ims -from flopy4.mf6.simulation import Simulation +from flopy4.mf6.modflow.gwf import Chd, Gwf, Ic, Npf, Oc +from flopy4.mf6.modflow.ims import Ims +from flopy4.mf6.modflow.simulation import Simulation name = "quickstart" workspace = Path(__file__).parent / name diff --git a/docs/examples/quickstart_expanded.py b/docs/examples/quickstart_expanded.py index 1d53e24f..86e2bc04 100644 --- a/docs/examples/quickstart_expanded.py +++ b/docs/examples/quickstart_expanded.py @@ -26,8 +26,8 @@ changes to support. """ -from flopy4.mf6 import Simulation, Tdis -from flopy4.mf6.gwf import Chd, Dis, Gwf, Ic, Npf, Oc +from flopy4.mf6.modflow import Simulation, Tdis +from flopy4.mf6.modflow.gwf import Chd, Dis, Gwf, Ic, Npf, Oc ws = "./mymodel" name = "mymodel" diff --git a/flopy4/mf6/modflow/gwf/__init__.py b/flopy4/mf6/modflow/gwf/__init__.py new file mode 100644 index 00000000..bfbd2e1b --- /dev/null +++ b/flopy4/mf6/modflow/gwf/__init__.py @@ -0,0 +1,8 @@ +from flopy4.mf6.modflow.gwf.chd import Chd +from flopy4.mf6.modflow.gwf.dis import Dis +from flopy4.mf6.modflow.gwf.gwf import Gwf +from flopy4.mf6.modflow.gwf.ic import Ic +from flopy4.mf6.modflow.gwf.npf import Npf +from flopy4.mf6.modflow.gwf.oc import Oc + +__all__ = ["Gwf", "Chd", "Dis", "Ic", "Npf", "Oc"] diff --git a/flopy4/mf6/gwf/chd.py b/flopy4/mf6/modflow/gwf/chd.py similarity index 100% rename from flopy4/mf6/gwf/chd.py rename to flopy4/mf6/modflow/gwf/chd.py diff --git a/flopy4/mf6/gwf/dis.py b/flopy4/mf6/modflow/gwf/dis.py similarity index 100% rename from flopy4/mf6/gwf/dis.py rename to flopy4/mf6/modflow/gwf/dis.py diff --git a/flopy4/mf6/gwf/drn.py b/flopy4/mf6/modflow/gwf/drn.py similarity index 100% rename from flopy4/mf6/gwf/drn.py rename to flopy4/mf6/modflow/gwf/drn.py diff --git a/flopy4/mf6/gwf/__init__.py b/flopy4/mf6/modflow/gwf/gwf.py similarity index 82% rename from flopy4/mf6/gwf/__init__.py rename to flopy4/mf6/modflow/gwf/gwf.py index 70a64443..3d976b98 100644 --- a/flopy4/mf6/gwf/__init__.py +++ b/flopy4/mf6/modflow/gwf/gwf.py @@ -7,21 +7,25 @@ from flopy.discretization.grid import Grid from xattree import xattree -from flopy4.mf6.gwf.chd import Chd -from flopy4.mf6.gwf.dis import Dis -from flopy4.mf6.gwf.drn import Drn -from flopy4.mf6.gwf.ic import Ic -from flopy4.mf6.gwf.npf import Npf -from flopy4.mf6.gwf.oc import Oc -from flopy4.mf6.gwf.wel import Wel +from flopy4.mf6.modflow.gwf.chd import Chd +from flopy4.mf6.modflow.gwf.dis import Dis +from flopy4.mf6.modflow.gwf.drn import Drn +from flopy4.mf6.modflow.gwf.ic import Ic +from flopy4.mf6.modflow.gwf.npf import Npf +from flopy4.mf6.modflow.gwf.oc import Oc +from flopy4.mf6.modflow.gwf.wel import Wel from flopy4.mf6.model import Model +from flopy4.mf6.modflow.gwf.chd import Chd +from flopy4.mf6.modflow.gwf.dis import Dis +from flopy4.mf6.modflow.gwf.ic import Ic +from flopy4.mf6.modflow.gwf.npf import Npf +from flopy4.mf6.modflow.gwf.oc import Oc from flopy4.mf6.spec import field from flopy4.mf6.utils import open_cbc, open_hds __all__ = ["Gwf", "Chd", "Dis", "Drn", "Ic", "Npf", "Oc", "Wel"] - -def convert_grid(value): +def _convert_grid(value): if isinstance(value, Grid): return Dis.from_grid(value) if isinstance(value, Dis): diff --git a/flopy4/mf6/gwf/ic.py b/flopy4/mf6/modflow/gwf/ic.py similarity index 100% rename from flopy4/mf6/gwf/ic.py rename to flopy4/mf6/modflow/gwf/ic.py diff --git a/flopy4/mf6/gwf/npf.py b/flopy4/mf6/modflow/gwf/npf.py similarity index 100% rename from flopy4/mf6/gwf/npf.py rename to flopy4/mf6/modflow/gwf/npf.py diff --git a/flopy4/mf6/gwf/oc.py b/flopy4/mf6/modflow/gwf/oc.py similarity index 100% rename from flopy4/mf6/gwf/oc.py rename to flopy4/mf6/modflow/gwf/oc.py diff --git a/flopy4/mf6/gwf/rch.py b/flopy4/mf6/modflow/gwf/rch.py similarity index 100% rename from flopy4/mf6/gwf/rch.py rename to flopy4/mf6/modflow/gwf/rch.py diff --git a/flopy4/mf6/gwf/sto.py b/flopy4/mf6/modflow/gwf/sto.py similarity index 100% rename from flopy4/mf6/gwf/sto.py rename to flopy4/mf6/modflow/gwf/sto.py diff --git a/flopy4/mf6/gwf/wel.py b/flopy4/mf6/modflow/gwf/wel.py similarity index 100% rename from flopy4/mf6/gwf/wel.py rename to flopy4/mf6/modflow/gwf/wel.py diff --git a/flopy4/mf6/ims.py b/flopy4/mf6/modflow/ims.py similarity index 100% rename from flopy4/mf6/ims.py rename to flopy4/mf6/modflow/ims.py diff --git a/flopy4/mf6/simulation.py b/flopy4/mf6/modflow/simulation.py similarity index 97% rename from flopy4/mf6/simulation.py rename to flopy4/mf6/modflow/simulation.py index 8ee73d6e..375d0bc3 100644 --- a/flopy4/mf6/simulation.py +++ b/flopy4/mf6/modflow/simulation.py @@ -8,9 +8,9 @@ from flopy4.mf6.context import Context from flopy4.mf6.exchange import Exchange from flopy4.mf6.model import Model +from flopy4.mf6.modflow.tdis import Tdis from flopy4.mf6.solution import Solution from flopy4.mf6.spec import field -from flopy4.mf6.tdis import Tdis def convert_time(value): diff --git a/flopy4/mf6/tdis.py b/flopy4/mf6/modflow/tdis.py similarity index 100% rename from flopy4/mf6/tdis.py rename to flopy4/mf6/modflow/tdis.py diff --git a/test/test_codec.py b/test/test_codec.py index 142c58e2..c63ba248 100644 --- a/test/test_codec.py +++ b/test/test_codec.py @@ -3,7 +3,7 @@ def test_dumps_ic(): - from flopy4.mf6.gwf import Dis, Gwf, Ic + from flopy4.mf6.modflow.gwf import Dis, Gwf, Ic dis = Dis() gwf = Gwf(dis=dis) @@ -19,7 +19,7 @@ def test_dumps_ic(): def test_dumps_oc(): - from flopy4.mf6.gwf import Oc + from flopy4.mf6.modflow.gwf import Oc oc = Oc( budget_file="test.bud", @@ -35,7 +35,7 @@ def test_dumps_oc(): def test_dumps_dis(): - from flopy4.mf6.gwf import Dis + from flopy4.mf6.modflow.gwf import Dis dis = Dis( nlay=1, @@ -55,7 +55,7 @@ def test_dumps_dis(): def test_dumps_tdis(): from flopy.discretization.modeltime import ModelTime - from flopy4.mf6.tdis import Tdis + from flopy4.mf6.modflow.tdis import Tdis tdis = Tdis.from_time(ModelTime(perlen=[1.0, 2.0], nstp=[1, 2])) tdis.time_units = "days" @@ -66,7 +66,7 @@ def test_dumps_tdis(): def test_dumps_chd(): - from flopy4.mf6.gwf import Chd, Dis, Gwf + from flopy4.mf6.modflow.gwf import Chd, Dis, Gwf dis = Dis(nrow=10, ncol=10) gwf = Gwf(dis=dis) diff --git a/test/test_component.py b/test/test_component.py index 6020cea3..177c263d 100644 --- a/test/test_component.py +++ b/test/test_component.py @@ -9,10 +9,10 @@ from flopy4.mf6.component import COMPONENTS from flopy4.mf6.constants import FILL_DNODATA -from flopy4.mf6.gwf import Chd, Dis, Gwf, Ic, Npf, Oc -from flopy4.mf6.ims import Ims -from flopy4.mf6.simulation import Simulation -from flopy4.mf6.tdis import Tdis +from flopy4.mf6.modflow.gwf import Chd, Dis, Gwf, Ic, Npf, Oc +from flopy4.mf6.modflow.ims import Ims +from flopy4.mf6.modflow.simulation import Simulation +from flopy4.mf6.modflow.tdis import Tdis def test_registry(): diff --git a/test/test_interface.py b/test/test_interface.py index b1793f23..72433447 100644 --- a/test/test_interface.py +++ b/test/test_interface.py @@ -6,10 +6,10 @@ from flopy.discretization.modeltime import ModelTime from flopy4.mf6.adapters import Flopy3Model, Flopy3Package -from flopy4.mf6.gwf import Chd, Dis, Gwf, Ic, Npf, Oc -from flopy4.mf6.ims import Ims -from flopy4.mf6.simulation import Simulation -from flopy4.mf6.tdis import Tdis +from flopy4.mf6.modflow.gwf import Chd, Dis, Gwf, Ic, Npf, Oc +from flopy4.mf6.modflow.ims import Ims +from flopy4.mf6.modflow.simulation import Simulation +from flopy4.mf6.modflow.tdis import Tdis def quickstart_model(): diff --git a/test/test_spec.py b/test/test_spec.py index 5b8d79d3..a772eb34 100644 --- a/test/test_spec.py +++ b/test/test_spec.py @@ -1,4 +1,4 @@ -from flopy4.mf6.gwf import Gwf +from flopy4.mf6.modflow.gwf import Gwf from flopy4.mf6.spec import blocks, blocks_dict From 308512d4060b258bb1ee8211c14494f96997abe5 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Fri, 11 Jul 2025 16:23:47 +0200 Subject: [PATCH 03/44] Add code generation code from flopy 3 --- .vscode/launch.json | 9 + codegen/__init__.py | 124 ++++++ codegen/component.py | 57 +++ codegen/filters.py | 522 ++++++++++++++++++++++++++ codegen/generate_classes.py | 165 ++++++++ codegen/templates/__init__.py.jinja | 4 + codegen/templates/exchange.py.jinja | 85 +++++ codegen/templates/macros.jinja | 27 ++ codegen/templates/model.py.jinja | 104 +++++ codegen/templates/package.py.jinja | 128 +++++++ codegen/templates/simulation.py.jinja | 109 ++++++ 11 files changed, 1334 insertions(+) create mode 100644 codegen/__init__.py create mode 100644 codegen/component.py create mode 100644 codegen/filters.py create mode 100644 codegen/generate_classes.py create mode 100644 codegen/templates/__init__.py.jinja create mode 100644 codegen/templates/exchange.py.jinja create mode 100644 codegen/templates/macros.jinja create mode 100644 codegen/templates/model.py.jinja create mode 100644 codegen/templates/package.py.jinja create mode 100644 codegen/templates/simulation.py.jinja diff --git a/.vscode/launch.json b/.vscode/launch.json index 16bb0183..54a7ba49 100644 --- a/.vscode/launch.json +++ b/.vscode/launch.json @@ -4,6 +4,15 @@ // For more information, visit: https://go.microsoft.com/fwlink/?linkid=830387 "version": "0.2.0", "configurations": [ + { + "name": "Python Debugger: generate-classes", + "type": "debugpy", + "request": "launch", + "module": "codegen.generate_classes", + "args": [ + "--dfnpath=c:/Users/kraus/Source/Repos/pyphoenix-project/dfn/" + ] + }, { "name": "Python Debugger: Current File", "type": "debugpy", diff --git a/codegen/__init__.py b/codegen/__init__.py new file mode 100644 index 00000000..d35dff6e --- /dev/null +++ b/codegen/__init__.py @@ -0,0 +1,124 @@ +from itertools import chain +from os import PathLike +from pathlib import Path + +from component import ComponentDescriptor +from filters import Filters +from modflow_devtools.dfn import Dfn + +__all__ = ["make_init", "make_targets", "make_all"] + + +def _get_template_env(): + # import here instead of module so we don't + # expect optional deps at module init time + import jinja2 + + loader = jinja2.PackageLoader("codegen", "templates") + env = jinja2.Environment( + loader=loader, + trim_blocks=True, + lstrip_blocks=True, + keep_trailing_newline=True, + ) + + env.filters["base"] = Filters.base + env.filters["title"] = Filters.title + env.filters["description"] = Filters.description + env.filters["prefix"] = Filters.prefix + env.filters["parent"] = Filters.parent + env.filters["skip_init"] = Filters.skip_init + env.filters["package_abbr"] = Filters.package_abbr + env.filters["variables"] = Filters.variables + env.filters["attrs"] = Filters.attrs + env.filters["init"] = Filters.init + env.filters["untag"] = Filters.untag + env.filters["type"] = Filters.type + env.filters["children"] = Filters.children + env.filters["default_value"] = Filters.default_value + env.filters["safe_name"] = Filters.safe_name + env.filters["value"] = Filters.value + env.filters["math"] = Filters.math + env.filters["clean"] = Filters.clean + + return env + + +def make_init(dfns: dict, outdir: PathLike, verbose: bool = False): + """Generate a Python __init__.py file for the given input definitions.""" + env = _get_template_env() + outdir = Path(outdir).expanduser().absolute() + + # import here instead of module so we don't + # expect optional deps at module init time + + components = list( + chain.from_iterable(ComponentDescriptor.from_dfn(dfn) for dfn in dfns.values()) + ) + target_name = "__init__.py" + target_path = outdir / target_name + template = env.get_template(f"{target_name}.jinja") + with open(target_path, "w") as f: + f.write(template.render(components=components)) + if verbose: + print(f"Wrote {target_path}") + + +def make_targets(dfn, outdir: PathLike, verbose: bool = False): + """Generate Python source file(s) from the given input definition.""" + env = _get_template_env() + outdir = Path(outdir).expanduser().resolve().absolute() + + def _get_template_name(component_name) -> str: + base = Filters.base(component_name) + if base == "MFSimulationBase": + return "simulation.py.jinja" + elif base == "MFModel": + return "model.py.jinja" + elif base == "MFPackage": + if component_name[0] == "exg": + return "exchange.py.jinja" + return "package.py.jinja" + else: + raise NotImplementedError(f"Unknown base class: {base}") + + for component in ComponentDescriptor.from_dfn(dfn): + component_name = component["name"] + target_path = outdir / f"mf{Filters.title(component_name)}.py" + template = env.get_template(_get_template_name(component_name)) + with open(target_path, "w") as f: + f.write(template.render(**component)) + if verbose: + print(f"Wrote {target_path}") + + +def make_all( + dfndir: PathLike, + outdir: PathLike, + verbose: bool = False, + version: int = 1, + legacydir: PathLike | None = None, +): + """Generate Python source files from the DFN files in the given location.""" + dfndir = Path(dfndir).expanduser().resolve().absolute() + dfns = Dfn.load_all(dfndir, version=version) + + # below is a temporary workaround to attach the legacy DFN + # representation to generated classes. at the moment it is + # parsed haphazardly throughout the mf6 module. TODO: when + # the legacy DFN is no longer needed at runtime, remove. + if version == 2: + assert legacydir is not None, "legacydir must be provided for version 2 DFNs" + legacydir = Path(legacydir).expanduser().resolve().absolute() + with open(legacydir / "common.dfn") as cf: + common, _ = Dfn._load_v1_flat(cf) + for dfn in dfns.values(): + dfn_name = dfn["name"] + with open(legacydir / f"{dfn_name}.dfn") as df: + legacy_dfn, legacy_meta = Dfn._load_v1_flat(df, common=common) + dfn["legacy_dfn"] = legacy_dfn + dfn["legacy_meta"] = legacy_meta + + make_init(dfns, outdir, verbose) + for dfn in dfns.values(): + make_targets(dfn, outdir, verbose) diff --git a/codegen/component.py b/codegen/component.py new file mode 100644 index 00000000..493b9b7d --- /dev/null +++ b/codegen/component.py @@ -0,0 +1,57 @@ +from typing import ( + Iterator, + TypedDict, +) + +from modflow_devtools.dfn import Dfn + + +def get_component_names(dfn: dict) -> list[tuple[str, str]]: + """ + Get the names of components produced by the definition. + A definition may produce one or more component classes. + """ + name = dfn.get("name", None) + if not name: + raise ValueError("DFN must have a 'name' entry") + name = name.split("-") + if name[1] == "nam": + if name[0] == "sim": + return [ + (None, name[1]), # nam pkg + tuple([*name]), # simulation + ] + else: + return [ + tuple([*name]), # nam pkg + (name[0], None), # model + ] + elif name in [ + ["gwf", "mvr"], + ["gwf", "gnc"], + ["gwt", "mvt"], + ]: + # TODO: deduplicate mfmvr.py/mfgwfmvr.py etc and remove special cases + return [ + tuple([*name]), + (None, name[1]), + ] + return [tuple([*name])] + + +class ComponentDescriptor(TypedDict): + """ + MODFLOW 6 input component class descriptor. Each component is + specified by a definition file. A definition file specifies 1+ + components (e.g. model DFNs yield a model and a package class). + """ + + name: tuple[str, str] + + @staticmethod + def from_dfn(dfn: Dfn) -> Iterator["ComponentDescriptor"]: + """ + Yield component class descriptors from an input definition. + """ + for name in get_component_names(dfn): + yield ComponentDescriptor(name=name, dfn=dfn) diff --git a/codegen/filters.py b/codegen/filters.py new file mode 100644 index 00000000..43affe45 --- /dev/null +++ b/codegen/filters.py @@ -0,0 +1,522 @@ +import sys +from enum import Enum +from keyword import kwlist +from pathlib import Path +from pprint import pformat +from typing import Any, List, Optional + +from boltons.iterutils import default_enter, remap + + +def _try_get_enum_value(v: Any) -> Any: + """ + Get the enum's value if the object is an instance + of an enumeration, otherwise return it unaltered. + """ + return v.value if isinstance(v, Enum) else v + + +def _get_vars(d: dict) -> dict[str, dict]: + vars_ = dict() + + def visit(p, k, v): + if isinstance(v, dict) and "type" in v: + vars_[k] = v + return True + + def enter(p, k, v): + if isinstance(v, dict) and "type" in v: + return (v, False) + return default_enter(p, k, v) + + dd = d.copy() + del dd["legacy_dfn"] + del dd["legacy_meta"] + remap(dd, enter=enter, visit=visit) + return vars_ + + +class Filters: + def base(component_name: tuple[str, str]) -> str: + """Base class from which the input context should inherit.""" + if component_name == ("sim", "nam"): + return "MFSimulationBase" + if component_name[1] is None: + return "MFModel" + return "MFPackage" + + def title(component_name: tuple[str, str]) -> str: + """ + The input context's unique title. This is not + identical to `f"{l}{r}` in some cases, but it + remains unique. The title is substituted into + the file name and class name. + """ + if component_name == ("sim", "nam"): + return "simulation" + l, r = component_name + if l is None: + return r + if r is None: + return l + if l == "sim": + return r + if l in ["sln", "exg"]: + return r + return l + r + + def package_abbr(component_name: tuple[str, str]) -> str: + if component_name[0] in ["sim", "sln", "exg", None]: + return component_name[1] + return "".join(component_name) + + def description(component_name: tuple[str, str]) -> str: + """A description of the input context.""" + l, r = component_name + base = Filters.base(component_name) + title = Filters.title(component_name).title() + if base == "MFPackage": + return f"Modflow{title} defines a {r.upper()} package." + elif base == "MFModel": + return f"Modflow{title} defines a {l.upper()} model." + elif base == "MFSimulationBase": + return ( + "MFSimulation is used to load, build, and/or save a MODFLOW 6 simulation." + " A MFSimulation object must be created before creating any of the MODFLOW" + " 6 model objects." + ) + + def prefix(component_name: tuple[str, str]) -> str: + """The input context class name prefix, e.g. 'MF' or 'Modflow'.""" + base = Filters.base(component_name) + return "MF" if base == "MFSimulationBase" else "Modflow" + + def dfn_file_name(component_name: tuple[str, str]) -> str: + if component_name[0] == "exg": + return f"{'-'.join(component_name)}.dfn" + if tuple(component_name) in [ + (None, "mvr"), + (None, "gnc"), + ]: + return f"gwf-{component_name[1]}.dfn" + if tuple(component_name) in [(None, "mvt")]: + return f"gwt-{component_name[1]}.dfn" + return f"{component_name[0] or 'sim'}-{component_name[1]}.dfn" + + def parent(dfn: dict, component_name: tuple[str, str]) -> str: + # TODO should be no longer needed when parents are explicit in dfns + """The input context's parent context type, if it can have a parent.""" + subpkg = dfn.get("ref", None) + if subpkg: + return subpkg["parent"] + if component_name == ("sim", "nam"): + return None + elif component_name[1] is None or component_name[0] in [None, "sim", "exg", "sln"]: + return "simulation" + return "model" + + def skip_init(component_name: tuple[str, str]) -> List[str]: + """Variables to skip in input context's `__init__` method.""" + base = Filters.base(component_name) + if base == "MFSimulationBase": + return [ + "tdis6", + "models", + "exchanges", + "mxiter", + "solutiongroup", + ] + elif base == "MFModel": + return ["packages"] + else: + # if component_name[1] == "nam": + # return ["export_netcdf", "nc_filerecord"] + if component_name == ("utl", "ts"): + return ["method", "interpolation_method_single", "sfac"] + return [] + + def untag(var: dict) -> dict: + """ + If the variable is a tagged record, remove the leading + tag field. If the variable is a tagged file path input + record, remove both leading tag and 'filein'/'fileout' + keyword following it. + """ + name = var["name"] + tagged = var.get("tagged", False) + fields = var.get("fields", None) + + if not fields: + return var + + # if tagged, remove the leading keyword + elif tagged: + keyword = next(iter(fields), None) + if keyword: + fields.pop(keyword) + + # if the record represents a file... + elif "file" in name: + # remove filein/fileout + field_names = list(fields.keys()) + for term in ["filein", "fileout"]: + if term in field_names: + fields.pop(term) + + # remove leading keyword + keyword = next(iter(fields), None) + if keyword: + fields.pop(keyword) + + var["fields"] = fields + return var + + def type(var: dict) -> str: + """ + Get a readable representation of the variable's type. + TODO: eventually replace this with a proper `type` in + the variable spec when we add type hints + """ + _type = var["type"] + shape = var.get("shape", None) + children = Filters.children(var) + if children: + if _type == "recarray": + if len(children) == 1: + first = list(children.values())[0] + if first["type"] in ["record", "keystring"]: + return f"[{Filters.type(first)}]" + children = ", ".join([v["name"] for v in children.values()]) + return f"[{children}]" + elif _type == "record": + children = ", ".join([v["name"] for v in children.values()]) + return f"({children})" + elif _type == "keystring": + return " | ".join([v["name"] for v in children.values()]) + elif shape: + return f"[{_type}]" + return var["type"] + + def children(var: dict) -> Optional[dict]: + _type = var["type"] + items = var.get("items", None) + fields = var.get("fields", None) + choices = var.get("choices", None) + if items: + assert _type == "recarray" + return items + if fields: + assert _type == "record" + return fields + if choices: + assert _type == "keystring" + return choices + return None + + def default_value(var: dict) -> Any: + _default = var.get("default", None) + if _default is not None: + return _default + return None + + def variables(dfn: dict) -> List[str]: + return _get_vars(dfn) + + def attrs(dfn: dict, component_name: tuple[str, str]) -> List[str]: + """ + Map the context's input variables to corresponding class attributes, + where applicable. TODO: this should get much simpler if we can drop + all the `ListTemplateGenerator`/`ArrayTemplateGenerator` attributes. + """ + from modflow_devtools.dfn import _SCALAR_TYPES + + component_base = Filters.base(component_name) + component_vars = _get_vars(dfn) + + def _attr(var: dict) -> Optional[str]: + var_name = var["name"] + var_type = var["type"] + var_block = var["block"] + var_shape = var.get("shape", None) + var_subpkg = var.get("ref", None) + + if ( + (var_type in _SCALAR_TYPES and not var_shape) or var_name in ["cvoptions", "output"] + # or (component_name[1] == "dis" and var_name == "packagedata") + ): + return None + + if var_subpkg: + # if the variable is a subpackage reference, use the original key + # (which has been replaced already with the referenced variable) + args = [ + f"'{component_name[1]}'", + f"'{var_block}'", + f"'{var_subpkg['key']}'", + ] + if component_name[0] not in [ + None, + "sim", + "sln", + "utl", + "exg", + ]: + args.insert(0, f"'{component_name[0]}6'") + return f"{var_subpkg['key']} = ListTemplateGenerator(({', '.join(args)}))" + is_array = var_type in ["string", "integer", "double precision"] and var_shape + is_composite = var_type in ["recarray", "record", "keystring"] + if is_array or is_composite: + + def _args(): + args = [ + f"'{component_name[1]}'", + f"'{var_block}'", + f"'{var_name}'", + ] + if component_name[0] is not None and component_name[0] not in [ + "sim", + "sln", + "utl", + "exg", + ]: + args.insert(0, f"'{component_name[0]}6'") + return args + + kind = "array" if is_array else "list" + return f"{var_name} = {kind.title()}TemplateGenerator(({', '.join(_args())}))" + + return None + + attrs = list(filter(None, [_attr(v) for v in component_vars.values()])) + + dfn_file_name = Filters.dfn_file_name(component_name) + dfn_header = ["header"] + if dfn.get("multi", None): + dfn_header.append("multi-package") + if dfn.get("advanced", None): + dfn_header.append("package-type advanced-stress-package") + if dfn.get("sln", None): + dfn_header.append(["solution_package", "*"]) + + dfn_dir = Path(__file__).parents[2] / "data" / "dfn" + + def _dfn(definition, metadata) -> List[List[str]]: + def _meta(): + exclude = ["subpackage", "parent_name_type"] + return [v for v in metadata if not any(p in v for p in exclude)] + + def __dfn(): + def _var(var: dict) -> List[str]: + exclude = ["longname", "description"] + name = var["name"] + subpkg = dfn.get("fkeys", dict()).get(name, None) + if subpkg: + var["construct_package"] = subpkg["abbr"] + var["construct_data"] = subpkg["val"] + var["parameter_name"] = subpkg["param"] + return [" ".join([k, v]).strip() for k, v in var.items() if k not in exclude] + + return [_var(var) for var in list(definition.values(multi=True))] + + return [["header"] + _meta()] + __dfn() + + def _filter_metadata(metadata): + meta_ = list() + for m in metadata: + if "multi" in m: + meta_.append(m) + elif "solution" in m: + s = m.split() + meta_.append([s[0], s[2]]) + elif "package-type" in m: + s = m.split() + meta_.append(" ".join(s)) + return meta_ + + legacy_dfn = dfn.get("legacy_dfn", {}) + legacy_meta = dfn.get("legacy_meta", []) + legacy_dfn = _dfn(legacy_dfn, _filter_metadata(legacy_meta)) + if component_base == "MFPackage": + attrs.extend( + [ + f"package_abbr = '{Filters.package_abbr(component_name)}'", + f"_package_type = '{component_name[1]}'", + f"dfn_file_name = '{dfn_file_name}'", + f"dfn = {pformat(legacy_dfn, indent=10, width=sys.maxsize)}", + ] + ) + + return attrs + + def init(dfn: dict, component_name: tuple[str, str]) -> List[str]: + component_base = Filters.base(component_name) + component_vars = _get_vars(dfn) + + def _statements() -> Optional[List[str]]: + if component_base == "MFSimulationBase": + + def _should_set(var: dict) -> bool: + return var["name"] not in [ + "tdis6", + "models", + "exchanges", + "mxiter", + "solutiongroup", + ] + + stmts = [] + refs = {} + for var in component_vars.values(): + name = var["name"] + if name in kwlist: + name = f"{name}_" + + subpkg = var.get("ref", None) + + if _should_set(var): + if name not in ["hpc_data"]: + stmts.append(f"self.name_file.{name}.set_data({name})") + if not subpkg: + stmts.append(f"self.{name} = self.name_file.{name}") + + if subpkg and subpkg["key"] not in refs: + refs[subpkg["key"]] = subpkg + args = f"'{subpkg['abbr']}', {subpkg['param']}" + stmts.append(f"self.{subpkg['param']} = self._create_package({args})") + elif component_base == "MFModel": + + def _should_set(var: dict) -> bool: + return var["name"] not in [ + "packages", + ] + + stmts = [] + refs = {} + for var in component_vars.values(): + name = var["name"] + if name in kwlist: + name = f"{name}_" + + if _should_set(var): + stmts.append(f"self.name_file.{name}.set_data({name})") + stmts.append(f"self.{name} = self.name_file.{name}") + + subpkg = var.get("ref", None) + if subpkg and subpkg["key"] not in refs: + refs[subpkg["key"]] = subpkg + args = f"'{subpkg['abbr']}', {subpkg['param']}" + stmts.append(f"self.{subpkg['param']} = self._create_package({args})") + elif component_base == "MFPackage": + + def _should_build(var: dict) -> bool: + subpkg = var.get("ref", None) + if subpkg and component_name != (None, "nam"): + return False + return var["name"] not in [ + "simulation", + "model", + "package", + "parent_model", + "parent_package", + "parent_model_or_package", + "parent_file", + "modelname", + "model_nam_file", + "method", + "interpolation_method_single", + "sfac", + "output", + ] + + stmts = [] + refs = {} + for var in component_vars.values(): + name = var["name"] + if name in kwlist: + name = f"{name}_" + + subpkg = var.get("ref", None) + if _should_build(var): + if subpkg and component_name == (None, "nam"): + stmts.append( + f"self.{'_' if subpkg else ''}{subpkg['key']} " + f"= self.build_mfdata('{subpkg['key']}', None)" + ) + else: + _name = name[:-1] if name.endswith("_") else name + name = name.replace("-", "_") + stmts.append( + f"self.{'_' if subpkg else ''}{name} " + f"= self.build_mfdata('{_name}', {name})" + ) + + if subpkg and subpkg["key"] not in refs and component_name[1] != "nam": + refs[subpkg["key"]] = subpkg + stmts.append( + f"self._{subpkg['key']} " + f"= self.build_mfdata('{subpkg['key']}', None)" + ) + args = ( + f"'{subpkg['abbr']}', {subpkg['val']}, " + f"'{subpkg['param']}', self._{subpkg['key']}" + ) + stmts.append( + f"self._{subpkg['abbr']}_package " f"= self.build_child_package({args})" + ) + + return stmts + + return list(filter(None, _statements())) + + def safe_name(v: str) -> str: + """ + Make sure a string is safe to use as a variable name in Python code. + If the string is a reserved keyword, add a trailing underscore to it. + Also replace any hyphens with underscores. + """ + return (f"{v}_" if v in kwlist else v).replace("-", "_") + + def math(v: str) -> str: + """Massage latex equations""" + v = v.replace("$<$", "<") + v = v.replace("$>$", ">") + if "$" in v: + descsplit = v.split("$") + mylist = [ + i.replace("\\", "") + ":math:`" + j.replace("\\", "\\\\") + "`" + for i, j in zip(descsplit[::2], descsplit[1::2]) + ] + mylist.append(descsplit[-1].replace("\\", "")) + v = "".join(mylist) + else: + v = v.replace("\\", "") + return v + + def clean(v: str) -> str: + """Clean description""" + replace_pairs = [ + ("``", '"'), # double quotes + ("''", '"'), + ("`", "'"), # single quotes + ("~", " "), # non-breaking space + (r"\mf", "MODFLOW 6"), + (r"\citep{konikow2009}", "(Konikow et al., 2009)"), + (r"\citep{hill1990preconditioned}", "(Hill, 1990)"), + (r"\ref{table:ftype}", "in mf6io.pdf"), + (r"\ref{table:gwf-obstypetable}", "in mf6io.pdf"), + ] + for s1, s2 in replace_pairs: + if s1 in v: + v = v.replace(s1, s2) + return v + + def value(v: Any) -> str: + """ + Format a value to appear in the RHS of an assignment or argument- + passing expression: if it's an enum, get its value; if it's `str`, + quote it. + """ + v = _try_get_enum_value(v) + if isinstance(v, str) and v[0] not in ["'", '"']: + v = f"'{v}'" + return v diff --git a/codegen/generate_classes.py b/codegen/generate_classes.py new file mode 100644 index 00000000..4240b276 --- /dev/null +++ b/codegen/generate_classes.py @@ -0,0 +1,165 @@ +import cmd +import shutil +import tempfile +from pathlib import Path + +from modflow_devtools.dfn2toml import convert as dfn2toml +from modflow_devtools.download import download_and_unzip + +from codegen import make_all + +_PROJ_ROOT_PATH = Path(__file__).parents[1].expanduser().resolve().absolute() +_MF6_AUTOGEN_PATH = _PROJ_ROOT_PATH / "flopy4" / "mf6" / "modflow" +_MF6_REPO_OWNER = "MODFLOW-ORG" +_MF6_REPO_NAME = "modflow6" +_CMD = cmd.Cmd() # for pretty printing + + +def generate_classes( + owner=_MF6_REPO_OWNER, + repo=_MF6_REPO_NAME, + ref=None, + dfnpath=None, + verbose=False, +): + """ + Generate Python classes for MODFLOW 6 using definition files fetched + from the MODFLOW 6 repository or available on the local filesystem. + + Parameters + ---------- + owner : str, default "MODFLOW-ORG" + Owner of the MODFLOW 6 repository to use to update the definition + files and generate the MODFLOW 6 classes. + repo : str, default "modflow6" + Name of the MODFLOW 6 repository to use to update the definition. + ref : str, default "master" + Branch name, tag, or commit hash to use to update the definition. + dfnpath : str + Path to a definition file folder that will be used to generate the + MODFLOW 6 classes. Default is none, which means that the branch + will be used instead. dfnpath will take precedence over branch + if dfnpath is specified. + backup : bool, default True + Keep a backup of the definition files in dfn_backup with a date and + timestamp from when the definition files were replaced. + verbose : bool, default False + If True, print information about the code generation process. + """ + + if dfnpath is None and ref is None: + raise ValueError("Need remote 'ref' or local 'dfnpath'") + + with tempfile.TemporaryDirectory() as tmpdir: + tmpdir = Path(tmpdir) + + if dfnpath is not None: + dfnpath = Path(dfnpath).expanduser().resolve().absolute() + if not dfnpath.is_dir(): + raise FileNotFoundError( + f"Specified DFN path '{dfnpath}' does not exist or is not a directory." + ) + else: + if verbose: + print(f"Fetching MODFLOW 6 definitions from: {owner}/{repo}/{ref}") + + url = f"https://github.com/{owner}/{repo}/archive/{ref}.zip" + dl_path = download_and_unzip(url=url, path=tmpdir, verbose=verbose) + if (proj_root := next(iter(dl_path.glob("modflow6-*")), None)) is None: + raise ValueError(f"Could not find MODFLOW 6 project root in: {dl_path}") + dfnpath = tmpdir / "dfn" + shutil.copytree(proj_root / "doc" / "mf6io" / "mf6ivar" / "dfn", dfnpath) + + if verbose: + dfns = list(dfnpath.glob("*.dfn")) + module_name = ".".join(_MF6_AUTOGEN_PATH.relative_to(_PROJ_ROOT_PATH).parts) + print(f"Generating module {module_name} from {len(dfns)} DFNs in: {dfnpath}") + print() + _CMD.columnize([f.name for f in dfns]) + print() + + tomlpath = dfnpath / "toml" + tomlpath.mkdir(exist_ok=True) + dfn2toml(dfnpath, tomlpath) + + shutil.rmtree(_MF6_AUTOGEN_PATH) + _MF6_AUTOGEN_PATH.mkdir(parents=True) + make_all(tomlpath, _MF6_AUTOGEN_PATH, version=2, legacydir=dfnpath) + if verbose: + files = list(_MF6_AUTOGEN_PATH.glob("*.py")) + print(f"Generated {len(files)} module files in: {_MF6_AUTOGEN_PATH}") + print() + _CMD.columnize([f.name for f in files]) + print() + + +def cli_main(): + """Command-line interface for generate_classes().""" + import argparse + import sys + + parser = argparse.ArgumentParser( + description=generate_classes.__doc__.split("\n\n")[0], + ) + parser.add_argument( + "--owner", + type=str, + default=_MF6_REPO_OWNER, + help=f"GitHub repository owner; default is '{_MF6_REPO_OWNER}'.", + ) + parser.add_argument( + "--repo", + default=_MF6_REPO_NAME, + help=f"Name of GitHub repository; default is '{_MF6_REPO_NAME}'.", + ) + parser.add_argument( + "--ref", + default="master", + help="Branch name, tag, or commit hash to use to update the " + "definition; default is 'master'.", + ) + parser.add_argument( + "--dfnpath", + help="Path to a definition file folder that will be used to generate " + "the MODFLOW 6 classes.", + ) + parser.add_argument( + "--verbose", + action="store_true", + default=True, + help="Print information about the code generation process.", + ) + parser.add_argument("--exclude", help="Exclude DFNs matching a pattern.", action="append") + parser.add_argument( + "--no-backup", + action="store_true", + help="Set to disable backup. " + "Default behavior is to keep a backup of the definition files in " + "dfn_backup with a date and timestamp from when the definition " + "files were replaced.", + ) + args = vars(parser.parse_args()) + + # ignore/warn removed options + exclude = args.pop("exclude", None) + no_backup = args.pop("no_backup", None) + if exclude: + print( + "The '--exclude' option is no longer supported. " + "Exclude DFNs and corresponding source files manually." + ) + if no_backup: + print( + "The '--no-backup' option is no longer supported. " + "Exclude DFNs and corresponding source files manually." + ) + + try: + generate_classes(**args) + except (EOFError, KeyboardInterrupt): + sys.exit(f" cancelling '{sys.argv[0]}'") + + +if __name__ == "__main__": + """Run command-line with: python -m codegen.generate_classes""" + cli_main() diff --git a/codegen/templates/__init__.py.jinja b/codegen/templates/__init__.py.jinja new file mode 100644 index 00000000..acc755f2 --- /dev/null +++ b/codegen/templates/__init__.py.jinja @@ -0,0 +1,4 @@ +# autogenerated file, do not modify +{% for c in components %} +from .mf{{ c.name|title }} import {{ c.name|prefix }}{{ (c.name|title).title() }} +{% endfor %} diff --git a/codegen/templates/exchange.py.jinja b/codegen/templates/exchange.py.jinja new file mode 100644 index 00000000..c7945497 --- /dev/null +++ b/codegen/templates/exchange.py.jinja @@ -0,0 +1,85 @@ +# autogenerated file, do not modify +{% import 'macros.jinja' as macros %} +{% set parent = dfn|parent(name) %} +{% set title = (name|title).title() %} +{% set description = name|description %} + + +from os import PathLike, curdir +from typing import Union + +from flopy.mf6.data.mfdatautil import ArrayTemplateGenerator, ListTemplateGenerator +from flopy.mf6.mfpackage import MFPackage + +class Modflow{{ title }}(MFPackage): + """ + {{ description }} + + Parameters + ---------- +{{ macros.docstrings(dfn|variables)|indent(4, first=true) }} + """ + + {% for attr in dfn|attrs(name) %} + {{ attr }} + {% endfor %} + + def __init__( + self, + simulation, + loading_package=False, + exgtype="{{ name[1][:3].upper() }}6-{{ name[1][3:].upper() }}6", + exgmnamea=None, + exgmnameb=None, +{{ macros.init_params(dfn|variables, skip=name|skip_init)|indent(8, first=true) }} + filename=None, + pname=None, + **kwargs, + ): + """ + {{ description }} + + simulation : MFSimulation + Simulation that this package is a part of. Package is automatically + added to simulation when it is initialized. + loading_package : bool + Do not set this parameter. It is intended for debugging and internal + processing purposes only. + exgtype : str + The exchange type (GWF-GWF or GWF-GWT). + exgmnamea : str + The name of the first model that is part of this exchange. + exgmnameb : str + The name of the second model that is part of this exchange. + gwfmodelname1 : str + Name of first GWF Model. In the simulation name file, the GWE6-GWE6 + entry contains names for GWE Models (exgmnamea and exgmnameb). The + GWE Model with the name exgmnamea must correspond to the GWF Model + with the name gwfmodelname1. + gwfmodelname2 : str + Name of second GWF Model. In the simulation name file, the GWE6-GWE6 + entry contains names for GWE Models (exgmnamea and exgmnameb). The + GWE Model with the name exgmnameb must correspond to the GWF Model + with the name gwfmodelname2. +{{ macros.docstrings(dfn|variables)|indent(8, first=true) }} + """ + + super().__init__( + {{ parent }}, + "{{ name[1] }}", + filename, + pname, + loading_package, + **kwargs + ) + + self.exgtype = exgtype + self.exgmnamea = exgmnamea + self.exgmnameb = exgmnameb + simulation.register_exchange_file(self) + + {% for statement in dfn|init(name) %} + {{ statement }} + {% endfor %} + + self._init_complete = True diff --git a/codegen/templates/macros.jinja b/codegen/templates/macros.jinja new file mode 100644 index 00000000..29c8a172 --- /dev/null +++ b/codegen/templates/macros.jinja @@ -0,0 +1,27 @@ +{% macro init_params(vars, alias=false, skip=none) %} +{% for name, var in vars.items() if name not in skip %} +{% set v = var|untag %} +{% set n = (name if alias else v.name)|safe_name %} +{{ n }}={{ v|default_value|value }}, +{% endfor %} +{% endmacro %} + +{% macro docstrings(vars, recurse=true) %} +{% for var in vars.values() recursive %} +{% set v = var|untag %} +{% set n = v.name|safe_name %} +{% set children = v|children %} +{% if loop.depth > 1 %}* {% endif %}{{ n }} : {{ v|type }} +{% if v.description is defined and v.description is not none %} +{{ v.description|clean|math|wordwrap|indent(loop.depth * 4, first=true) }} +{% endif %} +{% if recurse and children is not none %} +{% if v.type == "list" and children|length == 1 and (children.values()|first).type in ["record", "union"] %} +{% set grandchildren = (children.values()|first)|children %} +{{ loop(grandchildren.values())|indent(loop.depth * 4, first=true) }} +{% else %} +{{ loop(children.values())|indent(loop.depth * 4, first=true) }} +{% endif %} +{% endif %} +{% endfor %} +{% endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja new file mode 100644 index 00000000..e70c177e --- /dev/null +++ b/codegen/templates/model.py.jinja @@ -0,0 +1,104 @@ +# autogenerated file, do not modify +{% import 'macros.jinja' as macros %} +{% set title = (name|title).title() %} +{% set description = name|description %} + +from os import PathLike, curdir +from typing import Union + +from flopy.mf6.data.mfdatautil import ArrayTemplateGenerator, ListTemplateGenerator +from flopy.mf6.mfmodel import MFModel + + +class Modflow{{ title }}(MFModel): + """ + {{ description }} + + Parameters + ---------- +{{ macros.docstrings(dfn|variables)|indent(4, first=true) }} + + Methods + ------- + load : (simulation : MFSimulationData, model_name : string, + namfile : string, version : string, exe_name : string, + model_ws : string, strict : boolean) : MFSimulation + a class method that loads a model from files + """ + + model_type = "{{ title.lower() }}" + + def __init__( + self, + simulation, + modelname="model", + model_nam_file=None, + version="mf6", + exe_name="mf6", + model_rel_path=".", +{{ macros.init_params(dfn|variables, skip=name|skip_init)|indent(8, first=true) }} + **kwargs, + ): + """ + {{ description }} + + Parameters + ---------- + modelname : string + name of the model + model_nam_file : string + relative path to the model name file from model working folder + version : string + version of modflow + exe_name : string + model executable name + model_ws : string + model working folder path + sim : MFSimulation + Simulation that this model is a part of. Model is automatically + added to simulation when it is initialized. + +{{ macros.docstrings(dfn|variables)|indent(8, first=true) }} + """ + + super().__init__( + simulation, + model_type="{{ title.lower() }}6", + modelname=modelname, + model_nam_file=model_nam_file, + version=version, + exe_name=exe_name, + model_rel_path=model_rel_path, + **kwargs, + ) + + {% for statement in dfn|init(name) %} + {{ statement }} + {% endfor %} + + @classmethod + def load( + cls, + simulation, + structure, + modelname="NewModel", + model_nam_file="modflowtest.nam", + version="mf6", + exe_name="mf6", + strict=True, + model_rel_path=curdir, + load_only=None, + ): + return MFModel.load_base( + cls, + simulation, + structure, + modelname, + model_nam_file, + "{{ title.lower() }}6", + version, + exe_name, + strict, + model_rel_path, + load_only, + ) diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja new file mode 100644 index 00000000..b4dc454b --- /dev/null +++ b/codegen/templates/package.py.jinja @@ -0,0 +1,128 @@ +# autogenerated file, do not modify +{% import 'macros.jinja' as macros %} +{% set parent = dfn|parent(name) %} +{% set title = (name|title).title() %} +{% set description = name|description %} +{% set container = dfn.ref is defined and name[0] not in ["sln", "sim"] and name[1] not in ["hpc"] %} + +from os import PathLike, curdir +from typing import Union + +from flopy.mf6.data.mfdatautil import ArrayTemplateGenerator, ListTemplateGenerator +from flopy.mf6.mfpackage import MFPackage, MFChildPackages + + +class Modflow{{ title }}(MFPackage): + """ + {{ description }} + + Parameters + ---------- +{{ macros.docstrings(dfn|variables)|indent(4, first=true) }} + """ + + {% for attr in dfn|attrs(name) %} + {{ attr }} + {% endfor %} + + def __init__( + self, + {{ parent }}, + loading_package=False, +{{ macros.init_params(dfn|variables, skip=name|skip_init)|indent(8, first=true) }} + filename=None, + pname=None, + **kwargs, + ): + """ + {{ description }} + + Parameters + ---------- + {{ parent }} + {{ parent|capitalize }} that this package is a part of. Package is automatically + added to {{ parent }} when it is initialized. + loading_package : bool + Do not set this parameter. It is intended for debugging and internal + processing purposes only. +{{ macros.docstrings(dfn|variables)|indent(8, first=true) }} + filename : str + File name for this package. + pname : str + Package name for this package. + parent_file : MFPackage + Parent package file that references this package. Only needed for + utility packages (mfutl*). For example, mfutllaktab package must have + a mfgwflak package parent_file. + """ + + super().__init__( + {{ parent }}, + "{{ name[1] }}", + filename, + pname, + loading_package, + **kwargs + ) + + {% for statement in dfn|init(name) %} + {{ statement }} + {% endfor %} + + self._init_complete = True + +{% if container %} +class {{ title }}Packages(MFChildPackages): + """ + {{ title }}Packages is a container class for the Modflow{{ title }} class. + + Methods + ------- + initialize + Initializes a new Modflow{{ title }} package removing any sibling child + packages attached to the same parent package. See Modflow{{ title }} init + documentation for definition of parameters. + append_package + Adds a new Modflow{{ title }} package to the container. See Modflow{{ title }} + init documentation for definition of parameters. + + """ + + package_abbr = "{{ title.lower() }}packages" + + def initialize( + self, +{{ macros.init_params(dfn|variables, alias=true, skip=name|skip_init)|indent(8, first=true) }} + filename=None, + pname=None, + ): + new_package = Modflow{{ title }}( + self._cpparent, + {% for n, var in (dfn|variables).items() if n not in name|skip_init %} + {{ n|safe_name }}={{ n|safe_name }}, + {% endfor %} + filename=filename, + pname=pname, + child_builder_call=True, + ) + self.init_package(new_package, filename) + + {% if name[1] != "obs" %} + def append_package( + self, +{{ macros.init_params(dfn|variables, alias=true, skip=name|skip_init)|indent(8, first=true) }} + filename=None, + pname=None, + ): + new_package = Modflow{{ title }}( + self._cpparent, + {% for n, var in (dfn|variables).items() if n not in name|skip_init %} + {{ n|safe_name }}={{ n|safe_name }}, + {% endfor %} + filename=filename, + pname=pname, + child_builder_call=True, + ) + self._append_package(new_package, filename) + {% endif %} +{% endif %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja new file mode 100644 index 00000000..d8045123 --- /dev/null +++ b/codegen/templates/simulation.py.jinja @@ -0,0 +1,109 @@ +# autogenerated file, do not modify +{% import 'macros.jinja' as macros %} +{% set title = (name|title).title() %} +{% set description = name|description %} + +from os import PathLike, curdir +from typing import Union + +from flopy.mf6.data.mfdatautil import ArrayTemplateGenerator, ListTemplateGenerator +from flopy.mf6.mfsimbase import MFSimulationBase + +class MF{{ title }}(MFSimulationBase): + """ + {{ description }} + + Parameters + ---------- +{{ macros.docstrings(dfn|variables)|indent(4, first=true) }} + + Methods + ------- + load : (sim_name : str, version : string, + exe_name : str or PathLike, sim_ws : str or PathLike, strict : bool, + verbosity_level : int, load_only : list, verify_data : bool, + write_headers : bool, lazy_io : bool, use_pandas : bool, + ) : MFSimulation + a class method that loads a simulation from files + """ + + def __init__( + self, + sim_name: str = "sim", + version: str = "mf6", + exe_name: Union[str, PathLike] = "mf6", + sim_ws: Union[str, PathLike] = curdir, + verbosity_level: int = 1, + write_headers: bool = True, + use_pandas: bool = True, + lazy_io: bool = False, +{{ macros.init_params(dfn|variables, skip=name|skip_init)|indent(8, first=true) }} + ): + """ + {{ description }} + + Parameters + ---------- + sim_name + The name of the simulation + version + The simulation version + exe_name + The executable name + sim_ws + The simulation workspace + verbosity_level + The verbosity level + write_headers + Whether to write + use_pandas + Whether to use pandas + lazy_io + Whether to use lazy IO +{{ macros.docstrings(dfn|variables)|indent(8, first=true) }} + """ + + super().__init__( + sim_name=sim_name, + version=version, + exe_name=exe_name, + sim_ws=sim_ws, + verbosity_level=verbosity_level, + write_headers=write_headers, + lazy_io=lazy_io, + use_pandas=use_pandas + ) + + {% for statement in dfn|init(name) %} + {{ statement }} + {% endfor %} + + @classmethod + def load( + cls, + sim_name="modflowsim", + version="mf6", + exe_name: Union[str, PathLike] = "mf6", + sim_ws: Union[str, PathLike] = curdir, + strict=True, + verbosity_level=1, + load_only=None, + verify_data=False, + write_headers=True, + lazy_io=False, + use_pandas=True, + ): + return MFSimulationBase.load( + cls, + sim_name, + version, + exe_name, + sim_ws, + strict, + verbosity_level, + load_only, + verify_data, + write_headers, + lazy_io, + use_pandas, + ) From 43b4b256726d2e708ed68017225bdfb6a9008db9 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Fri, 11 Jul 2025 16:53:22 +0200 Subject: [PATCH 04/44] Move some code and fix import references --- codegen/__init__.py | 125 +----------------------------------- codegen/component.py | 5 +- codegen/filters.py | 7 +- codegen/generate_classes.py | 6 +- codegen/make.py | 117 +++++++++++++++++++++++++++++++++ pyproject.toml | 1 + 6 files changed, 127 insertions(+), 134 deletions(-) create mode 100644 codegen/make.py diff --git a/codegen/__init__.py b/codegen/__init__.py index d35dff6e..6b2a501e 100644 --- a/codegen/__init__.py +++ b/codegen/__init__.py @@ -1,124 +1,3 @@ -from itertools import chain -from os import PathLike -from pathlib import Path +from .generate_classes import generate_classes -from component import ComponentDescriptor -from filters import Filters -from modflow_devtools.dfn import Dfn - -__all__ = ["make_init", "make_targets", "make_all"] - - -def _get_template_env(): - # import here instead of module so we don't - # expect optional deps at module init time - import jinja2 - - loader = jinja2.PackageLoader("codegen", "templates") - env = jinja2.Environment( - loader=loader, - trim_blocks=True, - lstrip_blocks=True, - keep_trailing_newline=True, - ) - - env.filters["base"] = Filters.base - env.filters["title"] = Filters.title - env.filters["description"] = Filters.description - env.filters["prefix"] = Filters.prefix - env.filters["parent"] = Filters.parent - env.filters["skip_init"] = Filters.skip_init - env.filters["package_abbr"] = Filters.package_abbr - env.filters["variables"] = Filters.variables - env.filters["attrs"] = Filters.attrs - env.filters["init"] = Filters.init - env.filters["untag"] = Filters.untag - env.filters["type"] = Filters.type - env.filters["children"] = Filters.children - env.filters["default_value"] = Filters.default_value - env.filters["safe_name"] = Filters.safe_name - env.filters["value"] = Filters.value - env.filters["math"] = Filters.math - env.filters["clean"] = Filters.clean - - return env - - -def make_init(dfns: dict, outdir: PathLike, verbose: bool = False): - """Generate a Python __init__.py file for the given input definitions.""" - env = _get_template_env() - outdir = Path(outdir).expanduser().absolute() - - # import here instead of module so we don't - # expect optional deps at module init time - - components = list( - chain.from_iterable(ComponentDescriptor.from_dfn(dfn) for dfn in dfns.values()) - ) - target_name = "__init__.py" - target_path = outdir / target_name - template = env.get_template(f"{target_name}.jinja") - with open(target_path, "w") as f: - f.write(template.render(components=components)) - if verbose: - print(f"Wrote {target_path}") - - -def make_targets(dfn, outdir: PathLike, verbose: bool = False): - """Generate Python source file(s) from the given input definition.""" - env = _get_template_env() - outdir = Path(outdir).expanduser().resolve().absolute() - - def _get_template_name(component_name) -> str: - base = Filters.base(component_name) - if base == "MFSimulationBase": - return "simulation.py.jinja" - elif base == "MFModel": - return "model.py.jinja" - elif base == "MFPackage": - if component_name[0] == "exg": - return "exchange.py.jinja" - return "package.py.jinja" - else: - raise NotImplementedError(f"Unknown base class: {base}") - - for component in ComponentDescriptor.from_dfn(dfn): - component_name = component["name"] - target_path = outdir / f"mf{Filters.title(component_name)}.py" - template = env.get_template(_get_template_name(component_name)) - with open(target_path, "w") as f: - f.write(template.render(**component)) - if verbose: - print(f"Wrote {target_path}") - - -def make_all( - dfndir: PathLike, - outdir: PathLike, - verbose: bool = False, - version: int = 1, - legacydir: PathLike | None = None, -): - """Generate Python source files from the DFN files in the given location.""" - dfndir = Path(dfndir).expanduser().resolve().absolute() - dfns = Dfn.load_all(dfndir, version=version) - - # below is a temporary workaround to attach the legacy DFN - # representation to generated classes. at the moment it is - # parsed haphazardly throughout the mf6 module. TODO: when - # the legacy DFN is no longer needed at runtime, remove. - if version == 2: - assert legacydir is not None, "legacydir must be provided for version 2 DFNs" - legacydir = Path(legacydir).expanduser().resolve().absolute() - with open(legacydir / "common.dfn") as cf: - common, _ = Dfn._load_v1_flat(cf) - for dfn in dfns.values(): - dfn_name = dfn["name"] - with open(legacydir / f"{dfn_name}.dfn") as df: - legacy_dfn, legacy_meta = Dfn._load_v1_flat(df, common=common) - dfn["legacy_dfn"] = legacy_dfn - dfn["legacy_meta"] = legacy_meta - - make_init(dfns, outdir, verbose) - for dfn in dfns.values(): - make_targets(dfn, outdir, verbose) +__all__ = ["generate_classes"] diff --git a/codegen/component.py b/codegen/component.py index 493b9b7d..9b21ba60 100644 --- a/codegen/component.py +++ b/codegen/component.py @@ -1,7 +1,4 @@ -from typing import ( - Iterator, - TypedDict, -) +from typing import Iterator, TypedDict from modflow_devtools.dfn import Dfn diff --git a/codegen/filters.py b/codegen/filters.py index 43affe45..a9f75065 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -6,6 +6,7 @@ from typing import Any, List, Optional from boltons.iterutils import default_enter, remap +from modflow_devtools.dfn import _SCALAR_TYPES def _try_get_enum_value(v: Any) -> Any: @@ -228,7 +229,6 @@ def attrs(dfn: dict, component_name: tuple[str, str]) -> List[str]: where applicable. TODO: this should get much simpler if we can drop all the `ListTemplateGenerator`/`ArrayTemplateGenerator` attributes. """ - from modflow_devtools.dfn import _SCALAR_TYPES component_base = Filters.base(component_name) component_vars = _get_vars(dfn) @@ -453,15 +453,14 @@ def _should_build(var: dict) -> bool: if subpkg and subpkg["key"] not in refs and component_name[1] != "nam": refs[subpkg["key"]] = subpkg stmts.append( - f"self._{subpkg['key']} " - f"= self.build_mfdata('{subpkg['key']}', None)" + f"self._{subpkg['key']} = self.build_mfdata('{subpkg['key']}', None)" ) args = ( f"'{subpkg['abbr']}', {subpkg['val']}, " f"'{subpkg['param']}', self._{subpkg['key']}" ) stmts.append( - f"self._{subpkg['abbr']}_package " f"= self.build_child_package({args})" + f"self._{subpkg['abbr']}_package = self.build_child_package({args})" ) return stmts diff --git a/codegen/generate_classes.py b/codegen/generate_classes.py index 4240b276..d9ad8962 100644 --- a/codegen/generate_classes.py +++ b/codegen/generate_classes.py @@ -1,12 +1,14 @@ +import argparse import cmd import shutil +import sys import tempfile from pathlib import Path from modflow_devtools.dfn2toml import convert as dfn2toml from modflow_devtools.download import download_and_unzip -from codegen import make_all +from .make import make_all _PROJ_ROOT_PATH = Path(__file__).parents[1].expanduser().resolve().absolute() _MF6_AUTOGEN_PATH = _PROJ_ROOT_PATH / "flopy4" / "mf6" / "modflow" @@ -95,8 +97,6 @@ def generate_classes( def cli_main(): """Command-line interface for generate_classes().""" - import argparse - import sys parser = argparse.ArgumentParser( description=generate_classes.__doc__.split("\n\n")[0], diff --git a/codegen/make.py b/codegen/make.py new file mode 100644 index 00000000..3520c287 --- /dev/null +++ b/codegen/make.py @@ -0,0 +1,117 @@ +from itertools import chain +from os import PathLike +from pathlib import Path + +import jinja2 +from modflow_devtools.dfn import Dfn + +from .component import ComponentDescriptor +from .filters import Filters + + +def _get_template_env(): + loader = jinja2.PackageLoader("codegen", "templates") + env = jinja2.Environment( + loader=loader, + trim_blocks=True, + lstrip_blocks=True, + keep_trailing_newline=True, + ) + + env.filters["base"] = Filters.base + env.filters["title"] = Filters.title + env.filters["description"] = Filters.description + env.filters["prefix"] = Filters.prefix + env.filters["parent"] = Filters.parent + env.filters["skip_init"] = Filters.skip_init + env.filters["package_abbr"] = Filters.package_abbr + env.filters["variables"] = Filters.variables + env.filters["attrs"] = Filters.attrs + env.filters["init"] = Filters.init + env.filters["untag"] = Filters.untag + env.filters["type"] = Filters.type + env.filters["children"] = Filters.children + env.filters["default_value"] = Filters.default_value + env.filters["safe_name"] = Filters.safe_name + env.filters["value"] = Filters.value + env.filters["math"] = Filters.math + env.filters["clean"] = Filters.clean + + return env + + +def make_init(dfns: dict, outdir: PathLike, verbose: bool = False): + """Generate a Python __init__.py file for the given input definitions.""" + env = _get_template_env() + outdir = Path(outdir).expanduser().absolute() + + components = list( + chain.from_iterable(ComponentDescriptor.from_dfn(dfn) for dfn in dfns.values()) + ) + target_name = "__init__.py" + target_path = outdir / target_name + template = env.get_template(f"{target_name}.jinja") + with open(target_path, "w") as f: + f.write(template.render(components=components)) + if verbose: + print(f"Wrote {target_path}") + + +def make_targets(dfn, outdir: PathLike, verbose: bool = False): + """Generate Python source file(s) from the given input definition.""" + env = _get_template_env() + outdir = Path(outdir).expanduser().resolve().absolute() + + def _get_template_name(component_name) -> str: + base = Filters.base(component_name) + if base == "MFSimulationBase": + return "simulation.py.jinja" + elif base == "MFModel": + return "model.py.jinja" + elif base == "MFPackage": + if component_name[0] == "exg": + return "exchange.py.jinja" + return "package.py.jinja" + else: + raise NotImplementedError(f"Unknown base class: {base}") + + for component in ComponentDescriptor.from_dfn(dfn): + component_name = component["name"] + target_path = outdir / f"mf{Filters.title(component_name)}.py" + template = env.get_template(_get_template_name(component_name)) + with open(target_path, "w") as f: + f.write(template.render(**component)) + if verbose: + print(f"Wrote {target_path}") + + +def make_all( + dfndir: PathLike, + outdir: PathLike, + verbose: bool = False, + version: int = 1, + legacydir: PathLike | None = None, +): + """Generate Python source files from the DFN files in the given location.""" + dfndir = Path(dfndir).expanduser().resolve().absolute() + dfns = Dfn.load_all(dfndir, version=version) + + # below is a temporary workaround to attach the legacy DFN + # representation to generated classes. at the moment it is + # parsed haphazardly throughout the mf6 module. TODO: when + # the legacy DFN is no longer needed at runtime, remove. + if version == 2: + assert legacydir is not None, "legacydir must be provided for version 2 DFNs" + legacydir = Path(legacydir).expanduser().resolve().absolute() + with open(legacydir / "common.dfn") as cf: + common, _ = Dfn._load_v1_flat(cf) + for dfn in dfns.values(): + dfn_name = dfn["name"] + with open(legacydir / f"{dfn_name}.dfn") as df: + legacy_dfn, legacy_meta = Dfn._load_v1_flat(df, common=common) + dfn["legacy_dfn"] = legacy_dfn + dfn["legacy_meta"] = legacy_meta + + make_init(dfns, outdir, verbose) + for dfn in dfns.values(): + make_targets(dfn, outdir, verbose) diff --git a/pyproject.toml b/pyproject.toml index f19b1cde..7ffd7a09 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -134,6 +134,7 @@ test313 = { features = ["py313", "test"], solve-group = "py313" } dev = { features = ["py311", "test", "lint", "build"], solve-group = "py311" } [tool.pixi.feature.build.tasks] +generate-classes = { cmd = "python -m codegen.generate_classes" } build = { cmd = "python -m build" } [tool.pixi.feature.test.tasks] From 34cc59fe02ceb49a0b5c3c5c5395eac6f4e972e3 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Sat, 12 Jul 2025 10:20:05 +0200 Subject: [PATCH 05/44] Initial try for creating MFSimulation Only testing sim-nam.dfn for now --- codegen/component.py | 2 - codegen/filters.py | 160 ++++-------------- codegen/generate_classes.py | 2 +- codegen/make.py | 1 + codegen/templates/exchange.py.jinja | 4 +- .../{macros.jinja => macros.py.jinja} | 8 + codegen/templates/package.py.jinja | 2 +- codegen/templates/simulation.py.jinja | 155 +++++++---------- 8 files changed, 110 insertions(+), 224 deletions(-) rename codegen/templates/{macros.jinja => macros.py.jinja} (83%) diff --git a/codegen/component.py b/codegen/component.py index 9b21ba60..361acdc4 100644 --- a/codegen/component.py +++ b/codegen/component.py @@ -15,12 +15,10 @@ def get_component_names(dfn: dict) -> list[tuple[str, str]]: if name[1] == "nam": if name[0] == "sim": return [ - (None, name[1]), # nam pkg tuple([*name]), # simulation ] else: return [ - tuple([*name]), # nam pkg (name[0], None), # model ] elif name in [ diff --git a/codegen/filters.py b/codegen/filters.py index a9f75065..df2dbb43 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -1,12 +1,8 @@ -import sys from enum import Enum from keyword import kwlist -from pathlib import Path -from pprint import pformat from typing import Any, List, Optional from boltons.iterutils import default_enter, remap -from modflow_devtools.dfn import _SCALAR_TYPES def _try_get_enum_value(v: Any) -> Any: @@ -136,6 +132,7 @@ def skip_init(component_name: tuple[str, str]) -> List[str]: return ["method", "interpolation_method_single", "sfac"] return [] + @staticmethod def untag(var: dict) -> dict: """ If the variable is a tagged record, remove the leading @@ -220,133 +217,17 @@ def default_value(var: dict) -> Any: return _default return None - def variables(dfn: dict) -> List[str]: + @staticmethod + def variables(dfn: dict) -> dict[str, dict]: return _get_vars(dfn) - def attrs(dfn: dict, component_name: tuple[str, str]) -> List[str]: + @staticmethod + def attrs(dfn: dict) -> list[dict]: """ - Map the context's input variables to corresponding class attributes, - where applicable. TODO: this should get much simpler if we can drop - all the `ListTemplateGenerator`/`ArrayTemplateGenerator` attributes. + Map the context's input variables to corresponding class attributes, where applicable. """ - - component_base = Filters.base(component_name) component_vars = _get_vars(dfn) - - def _attr(var: dict) -> Optional[str]: - var_name = var["name"] - var_type = var["type"] - var_block = var["block"] - var_shape = var.get("shape", None) - var_subpkg = var.get("ref", None) - - if ( - (var_type in _SCALAR_TYPES and not var_shape) or var_name in ["cvoptions", "output"] - # or (component_name[1] == "dis" and var_name == "packagedata") - ): - return None - - if var_subpkg: - # if the variable is a subpackage reference, use the original key - # (which has been replaced already with the referenced variable) - args = [ - f"'{component_name[1]}'", - f"'{var_block}'", - f"'{var_subpkg['key']}'", - ] - if component_name[0] not in [ - None, - "sim", - "sln", - "utl", - "exg", - ]: - args.insert(0, f"'{component_name[0]}6'") - return f"{var_subpkg['key']} = ListTemplateGenerator(({', '.join(args)}))" - is_array = var_type in ["string", "integer", "double precision"] and var_shape - is_composite = var_type in ["recarray", "record", "keystring"] - if is_array or is_composite: - - def _args(): - args = [ - f"'{component_name[1]}'", - f"'{var_block}'", - f"'{var_name}'", - ] - if component_name[0] is not None and component_name[0] not in [ - "sim", - "sln", - "utl", - "exg", - ]: - args.insert(0, f"'{component_name[0]}6'") - return args - - kind = "array" if is_array else "list" - return f"{var_name} = {kind.title()}TemplateGenerator(({', '.join(_args())}))" - - return None - - attrs = list(filter(None, [_attr(v) for v in component_vars.values()])) - - dfn_file_name = Filters.dfn_file_name(component_name) - dfn_header = ["header"] - if dfn.get("multi", None): - dfn_header.append("multi-package") - if dfn.get("advanced", None): - dfn_header.append("package-type advanced-stress-package") - if dfn.get("sln", None): - dfn_header.append(["solution_package", "*"]) - - dfn_dir = Path(__file__).parents[2] / "data" / "dfn" - - def _dfn(definition, metadata) -> List[List[str]]: - def _meta(): - exclude = ["subpackage", "parent_name_type"] - return [v for v in metadata if not any(p in v for p in exclude)] - - def __dfn(): - def _var(var: dict) -> List[str]: - exclude = ["longname", "description"] - name = var["name"] - subpkg = dfn.get("fkeys", dict()).get(name, None) - if subpkg: - var["construct_package"] = subpkg["abbr"] - var["construct_data"] = subpkg["val"] - var["parameter_name"] = subpkg["param"] - return [" ".join([k, v]).strip() for k, v in var.items() if k not in exclude] - - return [_var(var) for var in list(definition.values(multi=True))] - - return [["header"] + _meta()] + __dfn() - - def _filter_metadata(metadata): - meta_ = list() - for m in metadata: - if "multi" in m: - meta_.append(m) - elif "solution" in m: - s = m.split() - meta_.append([s[0], s[2]]) - elif "package-type" in m: - s = m.split() - meta_.append(" ".join(s)) - return meta_ - - legacy_dfn = dfn.get("legacy_dfn", {}) - legacy_meta = dfn.get("legacy_meta", []) - legacy_dfn = _dfn(legacy_dfn, _filter_metadata(legacy_meta)) - if component_base == "MFPackage": - attrs.extend( - [ - f"package_abbr = '{Filters.package_abbr(component_name)}'", - f"_package_type = '{component_name[1]}'", - f"dfn_file_name = '{dfn_file_name}'", - f"dfn = {pformat(legacy_dfn, indent=10, width=sys.maxsize)}", - ] - ) - - return attrs + return list(component_vars.values()) def init(dfn: dict, component_name: tuple[str, str]) -> List[str]: component_base = Filters.base(component_name) @@ -467,6 +348,7 @@ def _should_build(var: dict) -> bool: return list(filter(None, _statements())) + @staticmethod def safe_name(v: str) -> str: """ Make sure a string is safe to use as a variable name in Python code. @@ -519,3 +401,29 @@ def value(v: Any) -> str: if isinstance(v, str) and v[0] not in ["'", '"']: v = f"'{v}'" return v + + @staticmethod + def python_type(attr: dict) -> str: + """ + Get the Python type of the attribute, e.g. 'int', 'str', 'float', + 'list', 'dict', etc. + """ + types = { + "integer": "int", + "real": "float", + "string": "str", + "keyword": "bool", + "recarray": "dict", + } + + py_type = types.get(attr["type"], "Any") + if py_type == "dict": + children = Filters.children(attr) + if children: + py_type = "dict[str, Any]" + else: + py_type = "dict" + if attr.get("optional", False): + py_type = f"{py_type} | None" + + return py_type diff --git a/codegen/generate_classes.py b/codegen/generate_classes.py index d9ad8962..eb713877 100644 --- a/codegen/generate_classes.py +++ b/codegen/generate_classes.py @@ -84,7 +84,7 @@ def generate_classes( tomlpath.mkdir(exist_ok=True) dfn2toml(dfnpath, tomlpath) - shutil.rmtree(_MF6_AUTOGEN_PATH) + shutil.rmtree(_MF6_AUTOGEN_PATH, ignore_errors=True) _MF6_AUTOGEN_PATH.mkdir(parents=True) make_all(tomlpath, _MF6_AUTOGEN_PATH, version=2, legacydir=dfnpath) if verbose: diff --git a/codegen/make.py b/codegen/make.py index 3520c287..2fdb0c36 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -36,6 +36,7 @@ def _get_template_env(): env.filters["value"] = Filters.value env.filters["math"] = Filters.math env.filters["clean"] = Filters.clean + env.filters["python_type"] = Filters.python_type return env diff --git a/codegen/templates/exchange.py.jinja b/codegen/templates/exchange.py.jinja index c7945497..4e45fbeb 100644 --- a/codegen/templates/exchange.py.jinja +++ b/codegen/templates/exchange.py.jinja @@ -1,5 +1,5 @@ # autogenerated file, do not modify -{% import 'macros.jinja' as macros %} +{% import 'macros.py.jinja' as macros %} {% set parent = dfn|parent(name) %} {% set title = (name|title).title() %} {% set description = name|description %} @@ -20,7 +20,7 @@ class Modflow{{ title }}(MFPackage): {{ macros.docstrings(dfn|variables)|indent(4, first=true) }} """ - {% for attr in dfn|attrs(name) %} + {% for attr in dfn|attrs %} {{ attr }} {% endfor %} diff --git a/codegen/templates/macros.jinja b/codegen/templates/macros.py.jinja similarity index 83% rename from codegen/templates/macros.jinja rename to codegen/templates/macros.py.jinja index 29c8a172..a20f29a1 100644 --- a/codegen/templates/macros.jinja +++ b/codegen/templates/macros.py.jinja @@ -25,3 +25,11 @@ {% endif %} {% endfor %} {% endmacro %} + +{% macro inner_class(vars) %} +@define +class {{ vars.name|capitalize}}: + {% for key, attr in vars.fields.items() %} + {{ key }}: {{ attr|python_type }} = field() + {% endfor %} +{% endmacro %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index b4dc454b..ebafba8b 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -21,7 +21,7 @@ class Modflow{{ title }}(MFPackage): {{ macros.docstrings(dfn|variables)|indent(4, first=true) }} """ - {% for attr in dfn|attrs(name) %} + {% for attr in dfn | attrs %} {{ attr }} {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index d8045123..2b5cdb25 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -1,109 +1,80 @@ # autogenerated file, do not modify -{% import 'macros.jinja' as macros %} -{% set title = (name|title).title() %} +{% import 'macros.py.jinja' as macros %} {% set description = name|description %} -from os import PathLike, curdir -from typing import Union +from os import PathLike +from warnings import warn -from flopy.mf6.data.mfdatautil import ArrayTemplateGenerator, ListTemplateGenerator -from flopy.mf6.mfsimbase import MFSimulationBase +from flopy.discretization.modeltime import ModelTime +from modflow_devtools.misc import cd, run_cmd +from xattree import xattree -class MF{{ title }}(MFSimulationBase): +from flopy4.mf6.context import Context +from flopy4.mf6.exchange import Exchange +from flopy4.mf6.model import Model +from flopy4.mf6.modflow.tdis import Tdis +from flopy4.mf6.solution import Solution +from flopy4.mf6.spec import field + + +def convert_time(value): + if isinstance(value, ModelTime): + return Tdis.from_time(value) + if isinstance(value, Tdis): + return value + raise TypeError(f"Expected ModelTime or Tdis, got {type(value)}") + +@xattree +class MFSimulation(Context): """ {{ description }} Parameters ---------- {{ macros.docstrings(dfn|variables)|indent(4, first=true) }} - - Methods - ------- - load : (sim_name : str, version : string, - exe_name : str or PathLike, sim_ws : str or PathLike, strict : bool, - verbosity_level : int, load_only : list, verify_data : bool, - write_headers : bool, lazy_io : bool, use_pandas : bool, - ) : MFSimulation - a class method that loads a simulation from files """ + {% for attr in dfn|attrs recursive %} + {% if attr.type == "record" %} + {{- macros.inner_class(attr)|indent(4, first=True) }} + {% elif attr.type == "recarray" %} + {{- macros.inner_class(attr.item)|indent(4, first=true) }} + {% endif %} + {% endfor %} + + {% for attr in dfn|attrs %} + {{ attr.name | safe_name }}: {{ attr | python_type }} = field() + {% endfor %} - def __init__( - self, - sim_name: str = "sim", - version: str = "mf6", - exe_name: Union[str, PathLike] = "mf6", - sim_ws: Union[str, PathLike] = curdir, - verbosity_level: int = 1, - write_headers: bool = True, - use_pandas: bool = True, - lazy_io: bool = False, -{{ macros.init_params(dfn|variables, skip=name|skip_init)|indent(8, first=true) }} - ): - """ - {{ description }} + def __attrs_post_init__(self): + super().__attrs_post_init__() + if self.filename != "mfsim.nam": + warn( + "Simulation filename must be 'mfsim.nam'.", + UserWarning, + ) + self.filename = "mfsim.nam" - Parameters - ---------- - sim_name - The name of the simulation - version - The simulation version - exe_name - The executable name - sim_ws - The simulation workspace - verbosity_level - The verbosity level - write_headers - Whether to write - use_pandas - Whether to use pandas - lazy_io - Whether to use lazy IO -{{ macros.docstrings(dfn|variables)|indent(8, first=true) }} - """ + @property + def time(self) -> ModelTime: + """Return the simulation time discretization.""" + return self.tdis.to_time() - super().__init__( - sim_name=sim_name, - version=version, - exe_name=exe_name, - sim_ws=sim_ws, - verbosity_level=verbosity_level, - write_headers=write_headers, - lazy_io=lazy_io, - use_pandas=use_pandas - ) + def run(self, exe: str | PathLike = "mf6", verbose: bool = False) -> None: + """Run the simulation using the given executable.""" + with cd(self.workspace): + out, err, ret = run_cmd(exe, verbose=verbose) + if ret != 0: + raise RuntimeError( + f"Simulation {self.name}: {exe} failed with " # type: ignore + f"return code {ret}, output:\n\n{out + err} " + ) - {% for statement in dfn|init(name) %} - {{ statement }} - {% endfor %} + def load(self, format="ascii") -> None: + """Load the simulation.""" + with cd(self.workspace): + super().load(format=format) - @classmethod - def load( - cls, - sim_name="modflowsim", - version="mf6", - exe_name: Union[str, PathLike] = "mf6", - sim_ws: Union[str, PathLike] = curdir, - strict=True, - verbosity_level=1, - load_only=None, - verify_data=False, - write_headers=True, - lazy_io=False, - use_pandas=True, - ): - return MFSimulationBase.load( - cls, - sim_name, - version, - exe_name, - sim_ws, - strict, - verbosity_level, - load_only, - verify_data, - write_headers, - lazy_io, - use_pandas, - ) + def write(self, format="ascii") -> None: + """Write the simulation.""" + with cd(self.workspace): + super().write(format=format) From c8033e077a1e524cb958515c5ebe843e82b9d52e Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Sat, 12 Jul 2025 11:50:02 +0200 Subject: [PATCH 06/44] Start working on package Tested with gwf-ic --- codegen/filters.py | 16 +++- codegen/templates/macros.py.jinja | 30 ++++++- codegen/templates/package.py.jinja | 123 +++-------------------------- 3 files changed, 54 insertions(+), 115 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index df2dbb43..188bea49 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -403,7 +403,7 @@ def value(v: Any) -> str: return v @staticmethod - def python_type(attr: dict) -> str: + def python_type(attr: dict[str, Any]) -> str: """ Get the Python type of the attribute, e.g. 'int', 'str', 'float', 'list', 'dict', etc. @@ -411,18 +411,28 @@ def python_type(attr: dict) -> str: types = { "integer": "int", "real": "float", + "double precision": "float", "string": "str", "keyword": "bool", "recarray": "dict", } - py_type = types.get(attr["type"], "Any") - if py_type == "dict": + # options with a shape are lists + if attr.get("shape", None) and attr["type"] == "string": + py_type = "list[str]" + elif attr.get("shape", None) and attr["type"] in ["real", "double precision"]: + py_type = "NDArray[np.float64]" + elif attr.get("shape", None) and attr["type"] == "integer": + py_type = "NDArray[np.int64]" + elif attr["type"] == "recarray": children = Filters.children(attr) if children: py_type = "dict[str, Any]" else: py_type = "dict" + else: + py_type = types.get(attr["type"], "Any") + if attr.get("optional", False): py_type = f"{py_type} | None" diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index a20f29a1..d413ca90 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -27,9 +27,35 @@ {% endmacro %} {% macro inner_class(vars) %} -@define +@xattree class {{ vars.name|capitalize}}: {% for key, attr in vars.fields.items() %} {{ key }}: {{ attr|python_type }} = field() {% endfor %} -{% endmacro %} +{%- endmacro %} + +{% macro xattree_field(attr) %} +{% set metadata = "{\"block\": \"" + attr.block + "\"}" %} +{% if "shape" in attr %} +array(metadata={{metadata}}{{ default_in_field(attr) }}{{ dims_in_field(attr) }}) +{%- else %} +field(metadata={{metadata}}{{ default_in_field(attr) }}{{ init_in_field(attr) }}) +{%- endif %} +{%- endmacro %} + +{% macro default_in_field(attr) %} +{% if attr.default %} +, default = {{ attr.default }} +{%- elif attr.optional %} +, default=None +{%- endif %} +{%- endmacro %} + +{% macro init_in_field(attr) %} +{% if attr.block == "dimensions" %}, init=False{% endif %} +{%- endmacro %} + +{% macro dims_in_field(attr) %} +{# TODO: Fix splitting of shapes#} +, dims=("{{attr.shape[1:-1]}}",) +{%- endmacro %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index ebafba8b..2a9d600a 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -1,128 +1,31 @@ # autogenerated file, do not modify -{% import 'macros.jinja' as macros %} +{% import 'macros.py.jinja' as macros %} {% set parent = dfn|parent(name) %} {% set title = (name|title).title() %} {% set description = name|description %} {% set container = dfn.ref is defined and name[0] not in ["sln", "sim"] and name[1] not in ["hpc"] %} +import numpy as np from os import PathLike, curdir -from typing import Union +from typing import ClassVar -from flopy.mf6.data.mfdatautil import ArrayTemplateGenerator, ListTemplateGenerator -from flopy.mf6.mfpackage import MFPackage, MFChildPackages +from numpy.typing import NDArray +from flopy4.mf6.package import Package +from xattree import xattree, field, array - -class Modflow{{ title }}(MFPackage): +@xattree +class Modflow{{ title }}(Package): """ {{ description }} Parameters ---------- -{{ macros.docstrings(dfn|variables)|indent(4, first=true) }} + {{ macros.docstrings(dfn|variables)|indent(4) }} """ + {% if dfn.multi %} + multi_package: ClassVar[bool] = True + {% endif %} {% for attr in dfn | attrs %} - {{ attr }} + {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) }} {% endfor %} - - def __init__( - self, - {{ parent }}, - loading_package=False, -{{ macros.init_params(dfn|variables, skip=name|skip_init)|indent(8, first=true) }} - filename=None, - pname=None, - **kwargs, - ): - """ - {{ description }} - - Parameters - ---------- - {{ parent }} - {{ parent|capitalize }} that this package is a part of. Package is automatically - added to {{ parent }} when it is initialized. - loading_package : bool - Do not set this parameter. It is intended for debugging and internal - processing purposes only. -{{ macros.docstrings(dfn|variables)|indent(8, first=true) }} - filename : str - File name for this package. - pname : str - Package name for this package. - parent_file : MFPackage - Parent package file that references this package. Only needed for - utility packages (mfutl*). For example, mfutllaktab package must have - a mfgwflak package parent_file. - """ - - super().__init__( - {{ parent }}, - "{{ name[1] }}", - filename, - pname, - loading_package, - **kwargs - ) - - {% for statement in dfn|init(name) %} - {{ statement }} - {% endfor %} - - self._init_complete = True - -{% if container %} -class {{ title }}Packages(MFChildPackages): - """ - {{ title }}Packages is a container class for the Modflow{{ title }} class. - - Methods - ------- - initialize - Initializes a new Modflow{{ title }} package removing any sibling child - packages attached to the same parent package. See Modflow{{ title }} init - documentation for definition of parameters. - append_package - Adds a new Modflow{{ title }} package to the container. See Modflow{{ title }} - init documentation for definition of parameters. - - """ - - package_abbr = "{{ title.lower() }}packages" - - def initialize( - self, -{{ macros.init_params(dfn|variables, alias=true, skip=name|skip_init)|indent(8, first=true) }} - filename=None, - pname=None, - ): - new_package = Modflow{{ title }}( - self._cpparent, - {% for n, var in (dfn|variables).items() if n not in name|skip_init %} - {{ n|safe_name }}={{ n|safe_name }}, - {% endfor %} - filename=filename, - pname=pname, - child_builder_call=True, - ) - self.init_package(new_package, filename) - - {% if name[1] != "obs" %} - def append_package( - self, -{{ macros.init_params(dfn|variables, alias=true, skip=name|skip_init)|indent(8, first=true) }} - filename=None, - pname=None, - ): - new_package = Modflow{{ title }}( - self._cpparent, - {% for n, var in (dfn|variables).items() if n not in name|skip_init %} - {{ n|safe_name }}={{ n|safe_name }}, - {% endfor %} - filename=filename, - pname=pname, - child_builder_call=True, - ) - self._append_package(new_package, filename) - {% endif %} -{% endif %} From 20f7943796ee2232e97b512e019e87750046683f Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Sat, 12 Jul 2025 11:57:10 +0200 Subject: [PATCH 07/44] Add converter to arrays --- codegen/templates/macros.py.jinja | 19 ++++++++++++++++--- codegen/templates/package.py.jinja | 2 ++ 2 files changed, 18 insertions(+), 3 deletions(-) diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index d413ca90..27b0dc93 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -37,9 +37,18 @@ class {{ vars.name|capitalize}}: {% macro xattree_field(attr) %} {% set metadata = "{\"block\": \"" + attr.block + "\"}" %} {% if "shape" in attr %} -array(metadata={{metadata}}{{ default_in_field(attr) }}{{ dims_in_field(attr) }}) +array( + metadata={{metadata}} + {{ default_in_field(attr) }} + {{ dims_in_field(attr) }} + {{ converter_in_field(attr) }} +) {%- else %} -field(metadata={{metadata}}{{ default_in_field(attr) }}{{ init_in_field(attr) }}) +field( + metadata={{metadata}} + {{ default_in_field(attr) }} + {{ init_in_field(attr) }} +) {%- endif %} {%- endmacro %} @@ -56,6 +65,10 @@ field(metadata={{metadata}}{{ default_in_field(attr) }}{{ init_in_field(attr) }} {%- endmacro %} {% macro dims_in_field(attr) %} -{# TODO: Fix splitting of shapes#} +{# TODO: Fix splitting of shapes. Can be comma or semi-colon. #} , dims=("{{attr.shape[1:-1]}}",) {%- endmacro %} + +{% macro converter_in_field(attr) %} +, converter=Converter(dict_to_array, takes_self=True, takes_field=True) +{%- endmacro %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 2a9d600a..3697a139 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -11,7 +11,9 @@ from typing import ClassVar from numpy.typing import NDArray from flopy4.mf6.package import Package +from flopy4.mf6.converters import dict_to_array from xattree import xattree, field, array +from attrs import Converter @xattree class Modflow{{ title }}(Package): From 60fdcef511c968787e838048b66d57dd0b9b5a3b Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Sat, 12 Jul 2025 12:43:44 +0200 Subject: [PATCH 08/44] Make multiple dims possible --- codegen/filters.py | 1 + codegen/templates/macros.py.jinja | 5 +++-- codegen/templates/package.py.jinja | 12 +++++++----- 3 files changed, 11 insertions(+), 7 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index 188bea49..51360515 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -415,6 +415,7 @@ def python_type(attr: dict[str, Any]) -> str: "string": "str", "keyword": "bool", "recarray": "dict", + "record": "Path", } # options with a shape are lists diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 27b0dc93..ba16cff1 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -65,8 +65,9 @@ field( {%- endmacro %} {% macro dims_in_field(attr) %} -{# TODO: Fix splitting of shapes. Can be comma or semi-colon. #} -, dims=("{{attr.shape[1:-1]}}",) +{% set trimmed_shape_str = attr.shape[1:-1]|replace(";",",") %} +{% set dims = trimmed_shape_str.split(",") %} +, dims=({% for dim in dims %}"{{dim|trim}}",{% endfor %}) {%- endmacro %} {% macro converter_in_field(attr) %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 3697a139..ac79f831 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -5,15 +5,17 @@ {% set description = name|description %} {% set container = dfn.ref is defined and name[0] not in ["sln", "sim"] and name[1] not in ["hpc"] %} -import numpy as np -from os import PathLike, curdir +from pathlib import Path from typing import ClassVar +import numpy as np +from attrs import Converter from numpy.typing import NDArray -from flopy4.mf6.package import Package +from xattree import array, field, xattree + from flopy4.mf6.converters import dict_to_array -from xattree import xattree, field, array -from attrs import Converter +from flopy4.mf6.package import Package + @xattree class Modflow{{ title }}(Package): From 190cdb6deaef9a3a000141cf4e6669d527801765 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Mon, 14 Jul 2025 09:47:42 +0200 Subject: [PATCH 09/44] Add model Fix order for default and non-default variables. --- codegen/filters.py | 5 ++ codegen/make.py | 1 + codegen/templates/macros.py.jinja | 10 +-- codegen/templates/model.py.jinja | 106 ++++------------------------- codegen/templates/package.py.jinja | 7 +- 5 files changed, 31 insertions(+), 98 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index 51360515..671adce8 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -438,3 +438,8 @@ def python_type(attr: dict[str, Any]) -> str: py_type = f"{py_type} | None" return py_type + + @staticmethod + def has_optional_or_default(attr: dict[str, Any]) -> bool: + """Check if the attribute has an optional type or a default value.""" + return attr.get("optional", False) or "default" in attr diff --git a/codegen/make.py b/codegen/make.py index 2fdb0c36..959740a0 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -37,6 +37,7 @@ def _get_template_env(): env.filters["math"] = Filters.math env.filters["clean"] = Filters.clean env.filters["python_type"] = Filters.python_type + env.filters["has_optional_or_default"] = Filters.has_optional_or_default return env diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index ba16cff1..d660ee68 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -39,15 +39,15 @@ class {{ vars.name|capitalize}}: {% if "shape" in attr %} array( metadata={{metadata}} - {{ default_in_field(attr) }} - {{ dims_in_field(attr) }} - {{ converter_in_field(attr) }} + {{- default_in_field(attr) }} + {{- dims_in_field(attr) }} + {{- converter_in_field(attr) }} ) {%- else %} field( metadata={{metadata}} - {{ default_in_field(attr) }} - {{ init_in_field(attr) }} + {{- default_in_field(attr) }} + {{- init_in_field(attr) }} ) {%- endif %} {%- endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index e70c177e..5472584e 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -1,104 +1,28 @@ # autogenerated file, do not modify -{% import 'macros.jinja' as macros %} +{% import 'macros.py.jinja' as macros %} {% set title = (name|title).title() %} {% set description = name|description %} -from os import PathLike, curdir -from typing import Union +from flopy4.mf6.model import Model +from xattree import xattree, field -from flopy.mf6.data.mfdatautil import ArrayTemplateGenerator, ListTemplateGenerator -from flopy.mf6.mfmodel import MFModel +def _convert_grid(value): + if isinstance(value, Grid): + return Dis.from_grid(value) + if isinstance(value, Dis): + return value + raise TypeError(f"Expected Grid or Dis, got {type(value)}") - -class Modflow{{ title }}(MFModel): +@xattree +class Modflow{{ title }}(Model): """ {{ description }} Parameters ---------- -{{ macros.docstrings(dfn|variables)|indent(4, first=true) }} - - Methods - ------- - load : (simulation : MFSimulationData, model_name : string, - namfile : string, version : string, exe_name : string, - model_ws : string, strict : boolean) : MFSimulation - a class method that loads a model from files + {{ macros.docstrings(dfn|variables)|indent(4) }} """ - model_type = "{{ title.lower() }}" - - def __init__( - self, - simulation, - modelname="model", - model_nam_file=None, - version="mf6", - exe_name="mf6", - model_rel_path=".", -{{ macros.init_params(dfn|variables, skip=name|skip_init)|indent(8, first=true) }} - **kwargs, - ): - """ - {{ description }} - - Parameters - ---------- - modelname : string - name of the model - model_nam_file : string - relative path to the model name file from model working folder - version : string - version of modflow - exe_name : string - model executable name - model_ws : string - model working folder path - sim : MFSimulation - Simulation that this model is a part of. Model is automatically - added to simulation when it is initialized. - -{{ macros.docstrings(dfn|variables)|indent(8, first=true) }} - """ - - super().__init__( - simulation, - model_type="{{ title.lower() }}6", - modelname=modelname, - model_nam_file=model_nam_file, - version=version, - exe_name=exe_name, - model_rel_path=model_rel_path, - **kwargs, - ) - - {% for statement in dfn|init(name) %} - {{ statement }} - {% endfor %} - - @classmethod - def load( - cls, - simulation, - structure, - modelname="NewModel", - model_nam_file="modflowtest.nam", - version="mf6", - exe_name="mf6", - strict=True, - model_rel_path=curdir, - load_only=None, - ): - return MFModel.load_base( - cls, - simulation, - structure, - modelname, - model_nam_file, - "{{ title.lower() }}6", - version, - exe_name, - strict, - model_rel_path, - load_only, - ) + {% for attr in dfn | attrs %} + {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) }} + {% endfor %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index ac79f831..1089d67b 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -30,6 +30,9 @@ class Modflow{{ title }}(Package): multi_package: ClassVar[bool] = True {% endif %} - {% for attr in dfn | attrs %} - {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) }} + {% for attr in dfn | attrs if not attr | has_optional_or_default %} + {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} + {% endfor %} + {% for attr in dfn | attrs if attr | has_optional_or_default %} + {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} From a42f362b8183d210b16159ef5552988bfd36a648 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Mon, 14 Jul 2025 13:00:14 +0200 Subject: [PATCH 10/44] Add inner classes Remove untag functionality --- codegen/filters.py | 50 +++++++----------------------- codegen/make.py | 2 +- codegen/templates/macros.py.jinja | 19 ++++++------ codegen/templates/model.py.jinja | 22 +++++++++++-- codegen/templates/package.py.jinja | 13 ++++++-- codegen/templates/record.py.jinja | 5 +++ 6 files changed, 57 insertions(+), 54 deletions(-) create mode 100644 codegen/templates/record.py.jinja diff --git a/codegen/filters.py b/codegen/filters.py index 671adce8..f1699673 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -132,43 +132,6 @@ def skip_init(component_name: tuple[str, str]) -> List[str]: return ["method", "interpolation_method_single", "sfac"] return [] - @staticmethod - def untag(var: dict) -> dict: - """ - If the variable is a tagged record, remove the leading - tag field. If the variable is a tagged file path input - record, remove both leading tag and 'filein'/'fileout' - keyword following it. - """ - name = var["name"] - tagged = var.get("tagged", False) - fields = var.get("fields", None) - - if not fields: - return var - - # if tagged, remove the leading keyword - elif tagged: - keyword = next(iter(fields), None) - if keyword: - fields.pop(keyword) - - # if the record represents a file... - elif "file" in name: - # remove filein/fileout - field_names = list(fields.keys()) - for term in ["filein", "fileout"]: - if term in field_names: - fields.pop(term) - - # remove leading keyword - keyword = next(iter(fields), None) - if keyword: - fields.pop(keyword) - - var["fields"] = fields - return var - def type(var: dict) -> str: """ Get a readable representation of the variable's type. @@ -415,7 +378,6 @@ def python_type(attr: dict[str, Any]) -> str: "string": "str", "keyword": "bool", "recarray": "dict", - "record": "Path", } # options with a shape are lists @@ -425,12 +387,16 @@ def python_type(attr: dict[str, Any]) -> str: py_type = "NDArray[np.float64]" elif attr.get("shape", None) and attr["type"] == "integer": py_type = "NDArray[np.int64]" + elif attr["type"] == "record": + py_type = Filters.class_name(attr["name"]) elif attr["type"] == "recarray": children = Filters.children(attr) if children: py_type = "dict[str, Any]" else: py_type = "dict" + elif "file" in attr["name"]: + py_type = "Path" else: py_type = types.get(attr["type"], "Any") @@ -443,3 +409,11 @@ def python_type(attr: dict[str, Any]) -> str: def has_optional_or_default(attr: dict[str, Any]) -> bool: """Check if the attribute has an optional type or a default value.""" return attr.get("optional", False) or "default" in attr + + @staticmethod + def class_name(name: str) -> str: + """Convert a string to a valid Python class name. + The incoming name consists of snake_case words. + The output is CamelCase. + """ + return "".join(word.capitalize() for word in name.split("_")) diff --git a/codegen/make.py b/codegen/make.py index 959740a0..0904c336 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -28,7 +28,6 @@ def _get_template_env(): env.filters["variables"] = Filters.variables env.filters["attrs"] = Filters.attrs env.filters["init"] = Filters.init - env.filters["untag"] = Filters.untag env.filters["type"] = Filters.type env.filters["children"] = Filters.children env.filters["default_value"] = Filters.default_value @@ -38,6 +37,7 @@ def _get_template_env(): env.filters["clean"] = Filters.clean env.filters["python_type"] = Filters.python_type env.filters["has_optional_or_default"] = Filters.has_optional_or_default + env.filters["class_name"] = Filters.class_name return env diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index d660ee68..b51421f7 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -1,6 +1,6 @@ {% macro init_params(vars, alias=false, skip=none) %} {% for name, var in vars.items() if name not in skip %} -{% set v = var|untag %} +{% set v = var %} {% set n = (name if alias else v.name)|safe_name %} {{ n }}={{ v|default_value|value }}, {% endfor %} @@ -8,7 +8,7 @@ {% macro docstrings(vars, recurse=true) %} {% for var in vars.values() recursive %} -{% set v = var|untag %} +{% set v = var %} {% set n = v.name|safe_name %} {% set children = v|children %} {% if loop.depth > 1 %}* {% endif %}{{ n }} : {{ v|type }} @@ -35,23 +35,24 @@ class {{ vars.name|capitalize}}: {%- endmacro %} {% macro xattree_field(attr) %} -{% set metadata = "{\"block\": \"" + attr.block + "\"}" %} {% if "shape" in attr %} array( - metadata={{metadata}} + {{- metadata(attr) }} {{- default_in_field(attr) }} {{- dims_in_field(attr) }} - {{- converter_in_field(attr) }} -) + {{- converter_in_field(attr) }}) {%- else %} field( - metadata={{metadata}} + {{- metadata(attr) }} {{- default_in_field(attr) }} - {{- init_in_field(attr) }} -) + {{- init_in_field(attr) }}) {%- endif %} {%- endmacro %} +{% macro metadata(attr) %} +metadata={"block": "{{attr.block}}" } +{%- endmacro %} + {% macro default_in_field(attr) %} {% if attr.default %} , default = {{ attr.default }} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index 5472584e..56c5aa65 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -3,8 +3,12 @@ {% set title = (name|title).title() %} {% set description = name|description %} +from pathlib import Path + +from xattree import xattree, field, define + from flopy4.mf6.model import Model -from xattree import xattree, field + def _convert_grid(value): if isinstance(value, Grid): @@ -13,6 +17,7 @@ def _convert_grid(value): return value raise TypeError(f"Expected Grid or Dis, got {type(value)}") + @xattree class Modflow{{ title }}(Model): """ @@ -23,6 +28,17 @@ class Modflow{{ title }}(Model): {{ macros.docstrings(dfn|variables)|indent(4) }} """ - {% for attr in dfn | attrs %} - {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) }} + {# Create inner classes for records #} + {% for attr in dfn|attrs if attr.type == "record" %} + {% include "record.py.jinja" %} + + {% endfor %} + + {# All non-optional parameters go first. #} + {% for attr in dfn | attrs if not attr | has_optional_or_default %} + {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} + {% endfor %} + {# Optional parameters go last. #} + {% for attr in dfn | attrs if attr | has_optional_or_default %} + {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 1089d67b..2fa34ee8 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -2,7 +2,6 @@ {% import 'macros.py.jinja' as macros %} {% set parent = dfn|parent(name) %} {% set title = (name|title).title() %} -{% set description = name|description %} {% set container = dfn.ref is defined and name[0] not in ["sln", "sim"] and name[1] not in ["hpc"] %} from pathlib import Path @@ -11,7 +10,7 @@ from typing import ClassVar import numpy as np from attrs import Converter from numpy.typing import NDArray -from xattree import array, field, xattree +from xattree import array, field, xattree, define from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package @@ -20,7 +19,7 @@ from flopy4.mf6.package import Package @xattree class Modflow{{ title }}(Package): """ - {{ description }} + {{ name|description }} Parameters ---------- @@ -30,9 +29,17 @@ class Modflow{{ title }}(Package): multi_package: ClassVar[bool] = True {% endif %} + {# Create inner classes for records #} + {% for attr in dfn|attrs if attr.type == "record" %} + {% include "record.py.jinja" %} + + {% endfor %} + + {# All non-optional parameters go first. #} {% for attr in dfn | attrs if not attr | has_optional_or_default %} {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} + {# Optional parameters go last. #} {% for attr in dfn | attrs if attr | has_optional_or_default %} {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} diff --git a/codegen/templates/record.py.jinja b/codegen/templates/record.py.jinja new file mode 100644 index 00000000..6e28d66a --- /dev/null +++ b/codegen/templates/record.py.jinja @@ -0,0 +1,5 @@ + @define + class {{ attr.name|class_name}}: + {% for _, field in attr.fields.items() %} + {{ field.name }}: {{ field | python_type }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) + {% endfor %} From 2121e71dac6f9295021850b5f2e1308b800fdae8 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Mon, 14 Jul 2025 15:30:55 +0200 Subject: [PATCH 11/44] Correct types in docstrings --- codegen/filters.py | 157 ++++++++++++++++---------- codegen/make.py | 4 +- codegen/templates/exchange.py.jinja | 85 -------------- codegen/templates/macros.py.jinja | 14 +-- codegen/templates/model.py.jinja | 4 +- codegen/templates/package.py.jinja | 4 +- codegen/templates/record.py.jinja | 2 +- codegen/templates/simulation.py.jinja | 2 +- 8 files changed, 109 insertions(+), 163 deletions(-) delete mode 100644 codegen/templates/exchange.py.jinja diff --git a/codegen/filters.py b/codegen/filters.py index f1699673..1ae4ab26 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -1,8 +1,11 @@ from enum import Enum from keyword import kwlist -from typing import Any, List, Optional +from pathlib import Path +from typing import Any, ForwardRef, List, Optional, Union, get_args, get_origin +import numpy as np from boltons.iterutils import default_enter, remap +from numpy.typing import NDArray def _try_get_enum_value(v: Any) -> Any: @@ -132,32 +135,6 @@ def skip_init(component_name: tuple[str, str]) -> List[str]: return ["method", "interpolation_method_single", "sfac"] return [] - def type(var: dict) -> str: - """ - Get a readable representation of the variable's type. - TODO: eventually replace this with a proper `type` in - the variable spec when we add type hints - """ - _type = var["type"] - shape = var.get("shape", None) - children = Filters.children(var) - if children: - if _type == "recarray": - if len(children) == 1: - first = list(children.values())[0] - if first["type"] in ["record", "keystring"]: - return f"[{Filters.type(first)}]" - children = ", ".join([v["name"] for v in children.values()]) - return f"[{children}]" - elif _type == "record": - children = ", ".join([v["name"] for v in children.values()]) - return f"({children})" - elif _type == "keystring": - return " | ".join([v["name"] for v in children.values()]) - elif shape: - return f"[{_type}]" - return var["type"] - def children(var: dict) -> Optional[dict]: _type = var["type"] items = var.get("items", None) @@ -366,54 +343,116 @@ def value(v: Any) -> str: return v @staticmethod - def python_type(attr: dict[str, Any]) -> str: + def type_str(attr: dict[str, Any]) -> str: + py_type = Filters._python_type(attr) + return Filters._type_to_string(py_type, docstring=False) + + @staticmethod + def type_docstr(attr: dict[str, Any]) -> str: + py_type = Filters._python_type(attr) + return Filters._type_to_string(py_type, docstring=True) + + @staticmethod + def has_optional_or_default(attr: dict[str, Any]) -> bool: + """Check if the attribute has an optional type or a default value.""" + return attr.get("optional", False) or "default" in attr + + @staticmethod + def class_name(name: str) -> str: + """Convert a string to a valid Python class name. + The incoming name consists of snake_case words. + The output is CamelCase. """ - Get the Python type of the attribute, e.g. 'int', 'str', 'float', - 'list', 'dict', etc. + return "".join(word.capitalize() for word in name.split("_")) + + @staticmethod + def _python_type(attr: dict[str, Any]) -> type | ForwardRef: + """ + Get the Python type of the attribute, e.g. int, str, float, + list, dict, etc. """ - types = { - "integer": "int", - "real": "float", - "double precision": "float", - "string": "str", - "keyword": "bool", - "recarray": "dict", + types: dict[str, type] = { + "integer": int, + "real": float, + "double precision": float, + "string": str, + "keyword": bool, + "recarray": dict, } # options with a shape are lists if attr.get("shape", None) and attr["type"] == "string": - py_type = "list[str]" + py_type: Any = list[str] elif attr.get("shape", None) and attr["type"] in ["real", "double precision"]: - py_type = "NDArray[np.float64]" + py_type = NDArray[np.float64] elif attr.get("shape", None) and attr["type"] == "integer": - py_type = "NDArray[np.int64]" + py_type = NDArray[np.int64] elif attr["type"] == "record": - py_type = Filters.class_name(attr["name"]) - elif attr["type"] == "recarray": - children = Filters.children(attr) - if children: - py_type = "dict[str, Any]" - else: - py_type = "dict" + py_type = ForwardRef(Filters.class_name(attr["name"]), is_argument=False, is_class=True) elif "file" in attr["name"]: - py_type = "Path" + py_type = Path else: - py_type = types.get(attr["type"], "Any") + py_type = types.get(attr["type"], Any) if attr.get("optional", False): - py_type = f"{py_type} | None" + py_type = Optional[py_type] return py_type @staticmethod - def has_optional_or_default(attr: dict[str, Any]) -> bool: - """Check if the attribute has an optional type or a default value.""" - return attr.get("optional", False) or "default" in attr + def _type_to_string(t: type | ForwardRef, docstring: bool = False) -> str: + """Convert a type to its string representation. - @staticmethod - def class_name(name: str) -> str: - """Convert a string to a valid Python class name. - The incoming name consists of snake_case words. - The output is CamelCase. + Args: + t: The type to convert + docstring: If True, format for docstrings (use 'or', 'optional'). + If False, format for code (use '|', '| None'). """ - return "".join(word.capitalize() for word in name.split("_")) + + # Handle None type + if t is type(None): + return "None" + + if type(t) is ForwardRef: + return t.__forward_arg__ + + # Handle basic types with __name__ + if hasattr(t, "__name__") and not hasattr(t, "__origin__"): + return t.__name__ + + # Handle generic types and special forms + origin = get_origin(t) + args = get_args(t) + + if origin is None: + # Fallback for types without origin + return getattr(t, "__name__", str(t)) + + # Handle Union types (including Optional) + if origin is Union: + if len(args) == 2 and type(None) in args: + # This is Optional[T] which is Union[T, None] + non_none_type = args[0] if args[1] is type(None) else args[1] + non_none_str = Filters._type_to_string(non_none_type, docstring) + if docstring: + return f"{non_none_str}, optional" + else: + return f"{non_none_str} | None" + else: + # Regular Union + arg_strs = [Filters._type_to_string(arg, docstring) for arg in args] + if docstring: + return " or ".join(arg_strs) + else: + return " | ".join(arg_strs) + + # Handle other generic types (list, dict, NDArray, etc.) + if hasattr(origin, "__name__"): + origin_name = origin.__name__ + if args: + arg_strs = [Filters._type_to_string(arg, docstring) for arg in args] + return f"{origin_name}[{', '.join(arg_strs)}]" + return origin_name + + # Fallback + return str(t) diff --git a/codegen/make.py b/codegen/make.py index 0904c336..93ecad38 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -28,14 +28,14 @@ def _get_template_env(): env.filters["variables"] = Filters.variables env.filters["attrs"] = Filters.attrs env.filters["init"] = Filters.init - env.filters["type"] = Filters.type env.filters["children"] = Filters.children env.filters["default_value"] = Filters.default_value env.filters["safe_name"] = Filters.safe_name env.filters["value"] = Filters.value env.filters["math"] = Filters.math env.filters["clean"] = Filters.clean - env.filters["python_type"] = Filters.python_type + env.filters["type_str"] = Filters.type_str + env.filters["type_docstr"] = Filters.type_docstr env.filters["has_optional_or_default"] = Filters.has_optional_or_default env.filters["class_name"] = Filters.class_name diff --git a/codegen/templates/exchange.py.jinja b/codegen/templates/exchange.py.jinja deleted file mode 100644 index 4e45fbeb..00000000 --- a/codegen/templates/exchange.py.jinja +++ /dev/null @@ -1,85 +0,0 @@ -# autogenerated file, do not modify -{% import 'macros.py.jinja' as macros %} -{% set parent = dfn|parent(name) %} -{% set title = (name|title).title() %} -{% set description = name|description %} - - -from os import PathLike, curdir -from typing import Union - -from flopy.mf6.data.mfdatautil import ArrayTemplateGenerator, ListTemplateGenerator -from flopy.mf6.mfpackage import MFPackage - -class Modflow{{ title }}(MFPackage): - """ - {{ description }} - - Parameters - ---------- -{{ macros.docstrings(dfn|variables)|indent(4, first=true) }} - """ - - {% for attr in dfn|attrs %} - {{ attr }} - {% endfor %} - - def __init__( - self, - simulation, - loading_package=False, - exgtype="{{ name[1][:3].upper() }}6-{{ name[1][3:].upper() }}6", - exgmnamea=None, - exgmnameb=None, -{{ macros.init_params(dfn|variables, skip=name|skip_init)|indent(8, first=true) }} - filename=None, - pname=None, - **kwargs, - ): - """ - {{ description }} - - simulation : MFSimulation - Simulation that this package is a part of. Package is automatically - added to simulation when it is initialized. - loading_package : bool - Do not set this parameter. It is intended for debugging and internal - processing purposes only. - exgtype : str - The exchange type (GWF-GWF or GWF-GWT). - exgmnamea : str - The name of the first model that is part of this exchange. - exgmnameb : str - The name of the second model that is part of this exchange. - gwfmodelname1 : str - Name of first GWF Model. In the simulation name file, the GWE6-GWE6 - entry contains names for GWE Models (exgmnamea and exgmnameb). The - GWE Model with the name exgmnamea must correspond to the GWF Model - with the name gwfmodelname1. - gwfmodelname2 : str - Name of second GWF Model. In the simulation name file, the GWE6-GWE6 - entry contains names for GWE Models (exgmnamea and exgmnameb). The - GWE Model with the name exgmnameb must correspond to the GWF Model - with the name gwfmodelname2. -{{ macros.docstrings(dfn|variables)|indent(8, first=true) }} - """ - - super().__init__( - {{ parent }}, - "{{ name[1] }}", - filename, - pname, - loading_package, - **kwargs - ) - - self.exgtype = exgtype - self.exgmnamea = exgmnamea - self.exgmnameb = exgmnameb - simulation.register_exchange_file(self) - - {% for statement in dfn|init(name) %} - {{ statement }} - {% endfor %} - - self._init_complete = True diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index b51421f7..eb1ee9f9 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -1,17 +1,9 @@ -{% macro init_params(vars, alias=false, skip=none) %} -{% for name, var in vars.items() if name not in skip %} -{% set v = var %} -{% set n = (name if alias else v.name)|safe_name %} -{{ n }}={{ v|default_value|value }}, -{% endfor %} -{% endmacro %} - {% macro docstrings(vars, recurse=true) %} {% for var in vars.values() recursive %} {% set v = var %} {% set n = v.name|safe_name %} {% set children = v|children %} -{% if loop.depth > 1 %}* {% endif %}{{ n }} : {{ v|type }} +{% if loop.depth > 1 %}* {% endif %}{{ n }} : {{ v|type_docstr }} {% if v.description is defined and v.description is not none %} {{ v.description|clean|math|wordwrap|indent(loop.depth * 4, first=true) }} {% endif %} @@ -24,13 +16,13 @@ {% endif %} {% endif %} {% endfor %} -{% endmacro %} +{%- endmacro %} {% macro inner_class(vars) %} @xattree class {{ vars.name|capitalize}}: {% for key, attr in vars.fields.items() %} - {{ key }}: {{ attr|python_type }} = field() + {{ key }}: {{ attr|type_str }} = field() {% endfor %} {%- endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index 56c5aa65..df7a9d34 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -36,9 +36,9 @@ class Modflow{{ title }}(Model): {# All non-optional parameters go first. #} {% for attr in dfn | attrs if not attr | has_optional_or_default %} - {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} + {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} {# Optional parameters go last. #} {% for attr in dfn | attrs if attr | has_optional_or_default %} - {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} + {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 2fa34ee8..d7e75964 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -37,9 +37,9 @@ class Modflow{{ title }}(Package): {# All non-optional parameters go first. #} {% for attr in dfn | attrs if not attr | has_optional_or_default %} - {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} + {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} {# Optional parameters go last. #} {% for attr in dfn | attrs if attr | has_optional_or_default %} - {{ attr.name | safe_name }}: {{ attr | python_type }} = {{ macros.xattree_field(attr) | indent(4) }} + {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} diff --git a/codegen/templates/record.py.jinja b/codegen/templates/record.py.jinja index 6e28d66a..3a766262 100644 --- a/codegen/templates/record.py.jinja +++ b/codegen/templates/record.py.jinja @@ -1,5 +1,5 @@ @define class {{ attr.name|class_name}}: {% for _, field in attr.fields.items() %} - {{ field.name }}: {{ field | python_type }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) + {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 2b5cdb25..4946216c 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -42,7 +42,7 @@ class MFSimulation(Context): {% endfor %} {% for attr in dfn|attrs %} - {{ attr.name | safe_name }}: {{ attr | python_type }} = field() + {{ attr.name | safe_name }}: {{ attr | type_str }} = field() {% endfor %} def __attrs_post_init__(self): From a06522275edc922492980a0621e1bcbe0e074050 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Tue, 15 Jul 2025 09:26:27 +0200 Subject: [PATCH 12/44] Add custom implementations for models, exchange, solutions in simulation --- codegen/templates/macros.py.jinja | 10 +--------- codegen/templates/recarray.py.jinja | 5 +++++ codegen/templates/simulation.py.jinja | 25 ++++++++++++++++++------- 3 files changed, 24 insertions(+), 16 deletions(-) create mode 100644 codegen/templates/recarray.py.jinja diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index eb1ee9f9..f6fdad0e 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -18,14 +18,6 @@ {% endfor %} {%- endmacro %} -{% macro inner_class(vars) %} -@xattree -class {{ vars.name|capitalize}}: - {% for key, attr in vars.fields.items() %} - {{ key }}: {{ attr|type_str }} = field() - {% endfor %} -{%- endmacro %} - {% macro xattree_field(attr) %} {% if "shape" in attr %} array( @@ -42,7 +34,7 @@ field( {%- endmacro %} {% macro metadata(attr) %} -metadata={"block": "{{attr.block}}" } +metadata={"block": "{{attr.block}}"} {%- endmacro %} {% macro default_in_field(attr) %} diff --git a/codegen/templates/recarray.py.jinja b/codegen/templates/recarray.py.jinja new file mode 100644 index 00000000..94c738e9 --- /dev/null +++ b/codegen/templates/recarray.py.jinja @@ -0,0 +1,5 @@ + @define + class {{ attr.item.name|class_name}}: + {% for _, field in attr.item.fields.items() %} + {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) + {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 4946216c..f4115d90 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -1,13 +1,14 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} {% set description = name|description %} +{% set custom_fields = ["models", "exchanges", "solutiongroup"] %} -from os import PathLike +from pathlib import Path from warnings import warn from flopy.discretization.modeltime import ModelTime from modflow_devtools.misc import cd, run_cmd -from xattree import xattree +from xattree import xattree, define from flopy4.mf6.context import Context from flopy4.mf6.exchange import Exchange @@ -33,17 +34,27 @@ class MFSimulation(Context): ---------- {{ macros.docstrings(dfn|variables)|indent(4, first=true) }} """ - {% for attr in dfn|attrs recursive %} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {% if attr.type == "record" %} - {{- macros.inner_class(attr)|indent(4, first=True) }} + {% include "record.py.jinja" %} + {% elif attr.type == "recarray" %} - {{- macros.inner_class(attr.item)|indent(4, first=true) }} + {% include "recarray.py.jinja" %} + {% endif %} {% endfor %} - {% for attr in dfn|attrs %} - {{ attr.name | safe_name }}: {{ attr | type_str }} = field() + {# All non-optional parameters go first. #} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) if not attr|has_optional_or_default %} + {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr)|indent(4) }} + {% endfor %} + {# Optional parameters go last. #} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) if attr|has_optional_or_default %} + {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr)|indent(4) }} {% endfor %} + models: dict[str, Model] = field(metadata={"block": "models"}, default={}) + exchanges: dict[str, Exchange] = field(metadata={"block": "exchanges"}, default={}) + solutions: dict[str, Solution] = field(metadata={"block": "solutiongroup"}, default={}) def __attrs_post_init__(self): super().__attrs_post_init__() From 29012211a7ab086113b3d3a16980d267cb513949 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Tue, 15 Jul 2025 12:58:24 +0200 Subject: [PATCH 13/44] Make the code work with newer modflow_devtools --- codegen/component.py | 52 ------ codegen/filters.py | 240 ++------------------------ codegen/make.py | 60 ++----- codegen/templates/__init__.py.jinja | 8 +- codegen/templates/model.py.jinja | 8 +- codegen/templates/package.py.jinja | 8 +- codegen/templates/simulation.py.jinja | 7 +- 7 files changed, 47 insertions(+), 336 deletions(-) delete mode 100644 codegen/component.py diff --git a/codegen/component.py b/codegen/component.py deleted file mode 100644 index 361acdc4..00000000 --- a/codegen/component.py +++ /dev/null @@ -1,52 +0,0 @@ -from typing import Iterator, TypedDict - -from modflow_devtools.dfn import Dfn - - -def get_component_names(dfn: dict) -> list[tuple[str, str]]: - """ - Get the names of components produced by the definition. - A definition may produce one or more component classes. - """ - name = dfn.get("name", None) - if not name: - raise ValueError("DFN must have a 'name' entry") - name = name.split("-") - if name[1] == "nam": - if name[0] == "sim": - return [ - tuple([*name]), # simulation - ] - else: - return [ - (name[0], None), # model - ] - elif name in [ - ["gwf", "mvr"], - ["gwf", "gnc"], - ["gwt", "mvt"], - ]: - # TODO: deduplicate mfmvr.py/mfgwfmvr.py etc and remove special cases - return [ - tuple([*name]), - (None, name[1]), - ] - return [tuple([*name])] - - -class ComponentDescriptor(TypedDict): - """ - MODFLOW 6 input component class descriptor. Each component is - specified by a definition file. A definition file specifies 1+ - components (e.g. model DFNs yield a model and a package class). - """ - - name: tuple[str, str] - - @staticmethod - def from_dfn(dfn: Dfn) -> Iterator["ComponentDescriptor"]: - """ - Yield component class descriptors from an input definition. - """ - for name in get_component_names(dfn): - yield ComponentDescriptor(name=name, dfn=dfn) diff --git a/codegen/filters.py b/codegen/filters.py index 1ae4ab26..ae8f7cf5 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -1,7 +1,7 @@ from enum import Enum from keyword import kwlist -from pathlib import Path -from typing import Any, ForwardRef, List, Optional, Union, get_args, get_origin +from os import PathLike +from typing import Any, ForwardRef, Optional, Union, get_args, get_origin import numpy as np from boltons.iterutils import default_enter, remap @@ -30,111 +30,27 @@ def enter(p, k, v): return default_enter(p, k, v) dd = d.copy() - del dd["legacy_dfn"] - del dd["legacy_meta"] remap(dd, enter=enter, visit=visit) return vars_ class Filters: - def base(component_name: tuple[str, str]) -> str: - """Base class from which the input context should inherit.""" - if component_name == ("sim", "nam"): - return "MFSimulationBase" - if component_name[1] is None: - return "MFModel" - return "MFPackage" - - def title(component_name: tuple[str, str]) -> str: - """ - The input context's unique title. This is not - identical to `f"{l}{r}` in some cases, but it - remains unique. The title is substituted into - the file name and class name. - """ - if component_name == ("sim", "nam"): - return "simulation" - l, r = component_name - if l is None: - return r - if r is None: - return l - if l == "sim": - return r - if l in ["sln", "exg"]: - return r - return l + r - - def package_abbr(component_name: tuple[str, str]) -> str: - if component_name[0] in ["sim", "sln", "exg", None]: - return component_name[1] - return "".join(component_name) - - def description(component_name: tuple[str, str]) -> str: + @staticmethod + def description(dfn: dict[str, Any]) -> str: """A description of the input context.""" - l, r = component_name - base = Filters.base(component_name) - title = Filters.title(component_name).title() - if base == "MFPackage": - return f"Modflow{title} defines a {r.upper()} package." - elif base == "MFModel": - return f"Modflow{title} defines a {l.upper()} model." - elif base == "MFSimulationBase": + parent = dfn.get("parent", None) + if parent == "sim": + return f"Modflow{dfn['name'].title()} defines a {dfn['name']} model." + elif parent is not None: + return f"Modflow{dfn['name'].title()} defines a {dfn['name']} package." + else: return ( "MFSimulation is used to load, build, and/or save a MODFLOW 6 simulation." " A MFSimulation object must be created before creating any of the MODFLOW" " 6 model objects." ) - def prefix(component_name: tuple[str, str]) -> str: - """The input context class name prefix, e.g. 'MF' or 'Modflow'.""" - base = Filters.base(component_name) - return "MF" if base == "MFSimulationBase" else "Modflow" - - def dfn_file_name(component_name: tuple[str, str]) -> str: - if component_name[0] == "exg": - return f"{'-'.join(component_name)}.dfn" - if tuple(component_name) in [ - (None, "mvr"), - (None, "gnc"), - ]: - return f"gwf-{component_name[1]}.dfn" - if tuple(component_name) in [(None, "mvt")]: - return f"gwt-{component_name[1]}.dfn" - return f"{component_name[0] or 'sim'}-{component_name[1]}.dfn" - - def parent(dfn: dict, component_name: tuple[str, str]) -> str: - # TODO should be no longer needed when parents are explicit in dfns - """The input context's parent context type, if it can have a parent.""" - subpkg = dfn.get("ref", None) - if subpkg: - return subpkg["parent"] - if component_name == ("sim", "nam"): - return None - elif component_name[1] is None or component_name[0] in [None, "sim", "exg", "sln"]: - return "simulation" - return "model" - - def skip_init(component_name: tuple[str, str]) -> List[str]: - """Variables to skip in input context's `__init__` method.""" - base = Filters.base(component_name) - if base == "MFSimulationBase": - return [ - "tdis6", - "models", - "exchanges", - "mxiter", - "solutiongroup", - ] - elif base == "MFModel": - return ["packages"] - else: - # if component_name[1] == "nam": - # return ["export_netcdf", "nc_filerecord"] - if component_name == ("utl", "ts"): - return ["method", "interpolation_method_single", "sfac"] - return [] - + @staticmethod def children(var: dict) -> Optional[dict]: _type = var["type"] items = var.get("items", None) @@ -151,12 +67,6 @@ def children(var: dict) -> Optional[dict]: return choices return None - def default_value(var: dict) -> Any: - _default = var.get("default", None) - if _default is not None: - return _default - return None - @staticmethod def variables(dfn: dict) -> dict[str, dict]: return _get_vars(dfn) @@ -169,125 +79,6 @@ def attrs(dfn: dict) -> list[dict]: component_vars = _get_vars(dfn) return list(component_vars.values()) - def init(dfn: dict, component_name: tuple[str, str]) -> List[str]: - component_base = Filters.base(component_name) - component_vars = _get_vars(dfn) - - def _statements() -> Optional[List[str]]: - if component_base == "MFSimulationBase": - - def _should_set(var: dict) -> bool: - return var["name"] not in [ - "tdis6", - "models", - "exchanges", - "mxiter", - "solutiongroup", - ] - - stmts = [] - refs = {} - for var in component_vars.values(): - name = var["name"] - if name in kwlist: - name = f"{name}_" - - subpkg = var.get("ref", None) - - if _should_set(var): - if name not in ["hpc_data"]: - stmts.append(f"self.name_file.{name}.set_data({name})") - if not subpkg: - stmts.append(f"self.{name} = self.name_file.{name}") - - if subpkg and subpkg["key"] not in refs: - refs[subpkg["key"]] = subpkg - args = f"'{subpkg['abbr']}', {subpkg['param']}" - stmts.append(f"self.{subpkg['param']} = self._create_package({args})") - elif component_base == "MFModel": - - def _should_set(var: dict) -> bool: - return var["name"] not in [ - "packages", - ] - - stmts = [] - refs = {} - for var in component_vars.values(): - name = var["name"] - if name in kwlist: - name = f"{name}_" - - if _should_set(var): - stmts.append(f"self.name_file.{name}.set_data({name})") - stmts.append(f"self.{name} = self.name_file.{name}") - - subpkg = var.get("ref", None) - if subpkg and subpkg["key"] not in refs: - refs[subpkg["key"]] = subpkg - args = f"'{subpkg['abbr']}', {subpkg['param']}" - stmts.append(f"self.{subpkg['param']} = self._create_package({args})") - elif component_base == "MFPackage": - - def _should_build(var: dict) -> bool: - subpkg = var.get("ref", None) - if subpkg and component_name != (None, "nam"): - return False - return var["name"] not in [ - "simulation", - "model", - "package", - "parent_model", - "parent_package", - "parent_model_or_package", - "parent_file", - "modelname", - "model_nam_file", - "method", - "interpolation_method_single", - "sfac", - "output", - ] - - stmts = [] - refs = {} - for var in component_vars.values(): - name = var["name"] - if name in kwlist: - name = f"{name}_" - - subpkg = var.get("ref", None) - if _should_build(var): - if subpkg and component_name == (None, "nam"): - stmts.append( - f"self.{'_' if subpkg else ''}{subpkg['key']} " - f"= self.build_mfdata('{subpkg['key']}', None)" - ) - else: - _name = name[:-1] if name.endswith("_") else name - name = name.replace("-", "_") - stmts.append( - f"self.{'_' if subpkg else ''}{name} " - f"= self.build_mfdata('{_name}', {name})" - ) - - if subpkg and subpkg["key"] not in refs and component_name[1] != "nam": - refs[subpkg["key"]] = subpkg - stmts.append( - f"self._{subpkg['key']} = self.build_mfdata('{subpkg['key']}', None)" - ) - args = ( - f"'{subpkg['abbr']}', {subpkg['val']}, " - f"'{subpkg['param']}', self._{subpkg['key']}" - ) - stmts.append( - f"self._{subpkg['abbr']}_package = self.build_child_package({args})" - ) - - return stmts - - return list(filter(None, _statements())) - @staticmethod def safe_name(v: str) -> str: """ @@ -297,6 +88,7 @@ def safe_name(v: str) -> str: """ return (f"{v}_" if v in kwlist else v).replace("-", "_") + @staticmethod def math(v: str) -> str: """Massage latex equations""" v = v.replace("$<$", "<") @@ -313,6 +105,7 @@ def math(v: str) -> str: v = v.replace("\\", "") return v + @staticmethod def clean(v: str) -> str: """Clean description""" replace_pairs = [ @@ -360,9 +153,12 @@ def has_optional_or_default(attr: dict[str, Any]) -> bool: @staticmethod def class_name(name: str) -> str: """Convert a string to a valid Python class name. - The incoming name consists of snake_case words. + The incoming name consists of snake_case or hyphened words. The output is CamelCase. """ + # Replace hyphens with underscores + name = name.replace("-", "_") + # capitalize each word and join them return "".join(word.capitalize() for word in name.split("_")) @staticmethod @@ -390,7 +186,7 @@ def _python_type(attr: dict[str, Any]) -> type | ForwardRef: elif attr["type"] == "record": py_type = ForwardRef(Filters.class_name(attr["name"]), is_argument=False, is_class=True) elif "file" in attr["name"]: - py_type = Path + py_type = PathLike else: py_type = types.get(attr["type"], Any) diff --git a/codegen/make.py b/codegen/make.py index 93ecad38..290b9b00 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -1,11 +1,9 @@ -from itertools import chain from os import PathLike from pathlib import Path import jinja2 from modflow_devtools.dfn import Dfn -from .component import ComponentDescriptor from .filters import Filters @@ -18,18 +16,10 @@ def _get_template_env(): keep_trailing_newline=True, ) - env.filters["base"] = Filters.base - env.filters["title"] = Filters.title env.filters["description"] = Filters.description - env.filters["prefix"] = Filters.prefix - env.filters["parent"] = Filters.parent - env.filters["skip_init"] = Filters.skip_init - env.filters["package_abbr"] = Filters.package_abbr env.filters["variables"] = Filters.variables env.filters["attrs"] = Filters.attrs - env.filters["init"] = Filters.init env.filters["children"] = Filters.children - env.filters["default_value"] = Filters.default_value env.filters["safe_name"] = Filters.safe_name env.filters["value"] = Filters.value env.filters["math"] = Filters.math @@ -47,14 +37,11 @@ def make_init(dfns: dict, outdir: PathLike, verbose: bool = False): env = _get_template_env() outdir = Path(outdir).expanduser().absolute() - components = list( - chain.from_iterable(ComponentDescriptor.from_dfn(dfn) for dfn in dfns.values()) - ) target_name = "__init__.py" target_path = outdir / target_name template = env.get_template(f"{target_name}.jinja") with open(target_path, "w") as f: - f.write(template.render(components=components)) + f.write(template.render(components=dfns.values())) if verbose: print(f"Wrote {target_path}") @@ -64,27 +51,22 @@ def make_targets(dfn, outdir: PathLike, verbose: bool = False): env = _get_template_env() outdir = Path(outdir).expanduser().resolve().absolute() - def _get_template_name(component_name) -> str: - base = Filters.base(component_name) - if base == "MFSimulationBase": + def _get_template_name(dfn) -> str: + parent = dfn.get("parent", None) + if parent is None: return "simulation.py.jinja" - elif base == "MFModel": + elif parent == "sim": return "model.py.jinja" - elif base == "MFPackage": - if component_name[0] == "exg": - return "exchange.py.jinja" - return "package.py.jinja" else: - raise NotImplementedError(f"Unknown base class: {base}") + return "package.py.jinja" - for component in ComponentDescriptor.from_dfn(dfn): - component_name = component["name"] - target_path = outdir / f"mf{Filters.title(component_name)}.py" - template = env.get_template(_get_template_name(component_name)) - with open(target_path, "w") as f: - f.write(template.render(**component)) - if verbose: - print(f"Wrote {target_path}") + component_name = dfn["name"].replace("-", "") + target_path = outdir / f"mf{component_name}.py" + template = env.get_template(_get_template_name(dfn)) + with open(target_path, "w") as f: + f.write(template.render(dfn=dfn)) + if verbose: + print(f"Wrote {target_path}") def make_all( @@ -98,22 +80,6 @@ def make_all( dfndir = Path(dfndir).expanduser().resolve().absolute() dfns = Dfn.load_all(dfndir, version=version) - # below is a temporary workaround to attach the legacy DFN - # representation to generated classes. at the moment it is - # parsed haphazardly throughout the mf6 module. TODO: when - # the legacy DFN is no longer needed at runtime, remove. - if version == 2: - assert legacydir is not None, "legacydir must be provided for version 2 DFNs" - legacydir = Path(legacydir).expanduser().resolve().absolute() - with open(legacydir / "common.dfn") as cf: - common, _ = Dfn._load_v1_flat(cf) - for dfn in dfns.values(): - dfn_name = dfn["name"] - with open(legacydir / f"{dfn_name}.dfn") as df: - legacy_dfn, legacy_meta = Dfn._load_v1_flat(df, common=common) - dfn["legacy_dfn"] = legacy_dfn - dfn["legacy_meta"] = legacy_meta - make_init(dfns, outdir, verbose) for dfn in dfns.values(): make_targets(dfn, outdir, verbose) diff --git a/codegen/templates/__init__.py.jinja b/codegen/templates/__init__.py.jinja index acc755f2..287807c6 100644 --- a/codegen/templates/__init__.py.jinja +++ b/codegen/templates/__init__.py.jinja @@ -1,4 +1,10 @@ # autogenerated file, do not modify {% for c in components %} -from .mf{{ c.name|title }} import {{ c.name|prefix }}{{ (c.name|title).title() }} +from .mf{{ c.name|replace("-","") }} import MF{{ c.name|class_name }} {% endfor %} + +__all__ = [ + {% for c in components %} + "MF{{c.name|class_name}}", + {% endfor %} +] diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index df7a9d34..ca3f0e59 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -1,9 +1,7 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} -{% set title = (name|title).title() %} -{% set description = name|description %} -from pathlib import Path +from os import PathLike from xattree import xattree, field, define @@ -19,9 +17,9 @@ def _convert_grid(value): @xattree -class Modflow{{ title }}(Model): +class MF{{ dfn.name|class_name }}(Model): """ - {{ description }} + {{ dfn|description }} Parameters ---------- diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index d7e75964..8bd4d84d 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -1,10 +1,8 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} -{% set parent = dfn|parent(name) %} -{% set title = (name|title).title() %} {% set container = dfn.ref is defined and name[0] not in ["sln", "sim"] and name[1] not in ["hpc"] %} -from pathlib import Path +from os import PathLike from typing import ClassVar import numpy as np @@ -17,9 +15,9 @@ from flopy4.mf6.package import Package @xattree -class Modflow{{ title }}(Package): +class MF{{ dfn.name|class_name }}(Package): """ - {{ name|description }} + {{ dfn|description }} Parameters ---------- diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index f4115d90..c248f786 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -1,9 +1,8 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} -{% set description = name|description %} {% set custom_fields = ["models", "exchanges", "solutiongroup"] %} -from pathlib import Path +from os import PathLike from warnings import warn from flopy.discretization.modeltime import ModelTime @@ -26,9 +25,9 @@ def convert_time(value): raise TypeError(f"Expected ModelTime or Tdis, got {type(value)}") @xattree -class MFSimulation(Context): +class MF{{dfn.name|title}}(Context): """ - {{ description }} + {{ dfn|description }} Parameters ---------- From 6a304d393ae74043b382f1db5f70df6fdaeaed04 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Wed, 16 Jul 2025 16:32:45 +0200 Subject: [PATCH 14/44] Add some todos --- codegen/filters.py | 2 ++ codegen/templates/macros.py.jinja | 1 + codegen/templates/simulation.py.jinja | 3 ++- 3 files changed, 5 insertions(+), 1 deletion(-) diff --git a/codegen/filters.py b/codegen/filters.py index ae8f7cf5..62d1c82a 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -176,6 +176,8 @@ def _python_type(attr: dict[str, Any]) -> type | ForwardRef: "recarray": dict, } + # TODO: If it's a record with a filein or fileout, use PathLike. + # options with a shape are lists if attr.get("shape", None) and attr["type"] == "string": py_type: Any = list[str] diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index f6fdad0e..04ad3d78 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -50,6 +50,7 @@ metadata={"block": "{{attr.block}}"} {%- endmacro %} {% macro dims_in_field(attr) %} +{# TODO: Just use the last one on a semi-colon, throw away the rest #} {% set trimmed_shape_str = attr.shape[1:-1]|replace(";",",") %} {% set dims = trimmed_shape_str.split(",") %} , dims=({% for dim in dims %}"{{dim|trim}}",{% endfor %}) diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index c248f786..6e804a3a 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -1,6 +1,6 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} -{% set custom_fields = ["models", "exchanges", "solutiongroup"] %} +{% set custom_fields = ["models", "exchanges", "solutiongroup", "tdis6"] %} from os import PathLike from warnings import warn @@ -54,6 +54,7 @@ class MF{{dfn.name|title}}(Context): models: dict[str, Model] = field(metadata={"block": "models"}, default={}) exchanges: dict[str, Exchange] = field(metadata={"block": "exchanges"}, default={}) solutions: dict[str, Solution] = field(metadata={"block": "solutiongroup"}, default={}) + tdis: Tdis = field(metadata={"block": "timing"}) def __attrs_post_init__(self): super().__attrs_post_init__() From 8241a35b4c53a7bab360fad854a919cf6378f7aa Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Wed, 16 Jul 2025 18:04:21 +0200 Subject: [PATCH 15/44] Change record with filein or fileout to a PathLike --- codegen/filters.py | 10 +++++++--- codegen/templates/macros.py.jinja | 2 +- codegen/templates/model.py.jinja | 23 ++++++----------------- 3 files changed, 14 insertions(+), 21 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index 62d1c82a..ca5f5419 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -1,3 +1,4 @@ +import os from enum import Enum from keyword import kwlist from os import PathLike @@ -176,8 +177,6 @@ def _python_type(attr: dict[str, Any]) -> type | ForwardRef: "recarray": dict, } - # TODO: If it's a record with a filein or fileout, use PathLike. - # options with a shape are lists if attr.get("shape", None) and attr["type"] == "string": py_type: Any = list[str] @@ -186,7 +185,12 @@ def _python_type(attr: dict[str, Any]) -> type | ForwardRef: elif attr.get("shape", None) and attr["type"] == "integer": py_type = NDArray[np.int64] elif attr["type"] == "record": - py_type = ForwardRef(Filters.class_name(attr["name"]), is_argument=False, is_class=True) + if any(field in attr["fields"] for field in ["filein", "fileout"]): + py_type = os.PathLike + else: + py_type = ForwardRef( + Filters.class_name(attr["name"]), is_argument=False, is_class=True + ) elif "file" in attr["name"]: py_type = PathLike else: diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 04ad3d78..312ae8e5 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -34,7 +34,7 @@ field( {%- endmacro %} {% macro metadata(attr) %} -metadata={"block": "{{attr.block}}"} +block="{{ attr.block }}" {%- endmacro %} {% macro default_in_field(attr) %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index ca3f0e59..e655de1a 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -1,22 +1,16 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} +{% set custom_fields = ["packages"] %} from os import PathLike -from xattree import xattree, field, define +from xattree import define, xattree from flopy4.mf6.model import Model +from flopy4.mf6.spec import field -def _convert_grid(value): - if isinstance(value, Grid): - return Dis.from_grid(value) - if isinstance(value, Dis): - return value - raise TypeError(f"Expected Grid or Dis, got {type(value)}") - - -@xattree +@xattree(kw_only=True) class MF{{ dfn.name|class_name }}(Model): """ {{ dfn|description }} @@ -27,16 +21,11 @@ class MF{{ dfn.name|class_name }}(Model): """ {# Create inner classes for records #} - {% for attr in dfn|attrs if attr.type == "record" %} + {% for attr in dfn|attrs if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% include "record.py.jinja" %} {% endfor %} - {# All non-optional parameters go first. #} - {% for attr in dfn | attrs if not attr | has_optional_or_default %} - {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} - {% endfor %} - {# Optional parameters go last. #} - {% for attr in dfn | attrs if attr | has_optional_or_default %} + {% for attr in dfn | attrs %} {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} From d01bf529114272d48c9a6f1fbde9fe053c98c360 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Wed, 16 Jul 2025 18:04:34 +0200 Subject: [PATCH 16/44] update pixi lock --- pixi.lock | 34 +++++++++++++++++----------------- 1 file changed, 17 insertions(+), 17 deletions(-) diff --git a/pixi.lock b/pixi.lock index 5a3d328c..20dda824 100644 --- a/pixi.lock +++ b/pixi.lock @@ -63,7 +63,7 @@ environments: - 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pypi: ./ name: flopy4 version: 0.0.1.dev0 - sha256: babc7d0967081714a1c9eb725153cb7a3c237176c216930ff478772a1ca9a2ac + sha256: eaf3877326904f0ec631338757234d7e8e4d283e43f394f86b7793450b57ebbb requires_dist: - attrs - cattrs @@ -6268,7 +6268,7 @@ packages: requires_dist: - typing-extensions ; python_full_version < '3.11' requires_python: '>=3.8' -- pypi: git+https://github.com/MODFLOW-USGS/modflow-devtools.git#adc3771626667851fbacd215e1076a504c2f7b22 +- pypi: git+https://github.com/MODFLOW-USGS/modflow-devtools.git#548e5e83ecb3eae2e5d7873d62ed77c4db4b1c38 name: modflow-devtools version: 1.8.0.dev0 requires_dist: From 9dc6aca1c9d60bb58cb65b600a9e06643b9e5de0 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 09:07:47 +0200 Subject: [PATCH 17/44] Add ruff formatting after generating --- codegen/filters.py | 6 +++--- codegen/make.py | 7 +++++++ 2 files changed, 10 insertions(+), 3 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index ca5f5419..46d5ba83 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -46,9 +46,9 @@ def description(dfn: dict[str, Any]) -> str: return f"Modflow{dfn['name'].title()} defines a {dfn['name']} package." else: return ( - "MFSimulation is used to load, build, and/or save a MODFLOW 6 simulation." - " A MFSimulation object must be created before creating any of the MODFLOW" - " 6 model objects." + "MFSim is used to load, build, and/or save a MODFLOW 6 simulation.\n" + "A MFSim object must be created before creating any of the MODFLOW 6\n" + "model objects." ) @staticmethod diff --git a/codegen/make.py b/codegen/make.py index 290b9b00..bb6eff55 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -1,3 +1,4 @@ +import subprocess from os import PathLike from pathlib import Path @@ -46,6 +47,11 @@ def make_init(dfns: dict, outdir: PathLike, verbose: bool = False): print(f"Wrote {target_path}") +def _format_files(folder: PathLike): + subprocess.run(["ruff", "format", folder], check=True, text=True) + subprocess.run(["ruff", "check", "--fix", folder], check=True, text=True) + + def make_targets(dfn, outdir: PathLike, verbose: bool = False): """Generate Python source file(s) from the given input definition.""" env = _get_template_env() @@ -83,3 +89,4 @@ def make_all( make_init(dfns, outdir, verbose) for dfn in dfns.values(): make_targets(dfn, outdir, verbose) + _format_files(outdir) From 7e748c00b77e69fcb71e64c17738001c83a4a80c Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 10:51:22 +0200 Subject: [PATCH 18/44] Move description to template --- codegen/filters.py | 15 --------------- codegen/make.py | 1 - codegen/templates/model.py.jinja | 2 +- codegen/templates/package.py.jinja | 2 +- codegen/templates/simulation.py.jinja | 8 +++++--- 5 files changed, 7 insertions(+), 21 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index 46d5ba83..f20ebe97 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -36,21 +36,6 @@ def enter(p, k, v): class Filters: - @staticmethod - def description(dfn: dict[str, Any]) -> str: - """A description of the input context.""" - parent = dfn.get("parent", None) - if parent == "sim": - return f"Modflow{dfn['name'].title()} defines a {dfn['name']} model." - elif parent is not None: - return f"Modflow{dfn['name'].title()} defines a {dfn['name']} package." - else: - return ( - "MFSim is used to load, build, and/or save a MODFLOW 6 simulation.\n" - "A MFSim object must be created before creating any of the MODFLOW 6\n" - "model objects." - ) - @staticmethod def children(var: dict) -> Optional[dict]: _type = var["type"] diff --git a/codegen/make.py b/codegen/make.py index bb6eff55..3d62126e 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -17,7 +17,6 @@ def _get_template_env(): keep_trailing_newline=True, ) - env.filters["description"] = Filters.description env.filters["variables"] = Filters.variables env.filters["attrs"] = Filters.attrs env.filters["children"] = Filters.children diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index e655de1a..499f8c0b 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -13,7 +13,7 @@ from flopy4.mf6.spec import field @xattree(kw_only=True) class MF{{ dfn.name|class_name }}(Model): """ - {{ dfn|description }} + MF{dfn.name|class_name} defines a {dfn.name} model." Parameters ---------- diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 8bd4d84d..4ec694bf 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -17,7 +17,7 @@ from flopy4.mf6.package import Package @xattree class MF{{ dfn.name|class_name }}(Package): """ - {{ dfn|description }} + MF{{dfn.name|class_name}} defines a {{dfn.name}} package. Parameters ---------- diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 6e804a3a..0329c406 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -25,13 +25,15 @@ def convert_time(value): raise TypeError(f"Expected ModelTime or Tdis, got {type(value)}") @xattree -class MF{{dfn.name|title}}(Context): +class MF{{dfn.name|class_name}}(Context): """ - {{ dfn|description }} + MF{{dfn.name|class_name}} is used to load, build, and/or save a MODFLOW 6 simulation. + A MF{{dfn.name|class_name}} object must be created before creating any of the MODFLOW 6 + model objects. Parameters ---------- -{{ macros.docstrings(dfn|variables)|indent(4, first=true) }} + {{ macros.docstrings(dfn|variables)|indent(4) }} """ {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {% if attr.type == "record" %} From 096a0b72622fb4d6769987d9d9916c487c822ed5 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 10:56:35 +0200 Subject: [PATCH 19/44] Remove has_optional_or_default --- codegen/make.py | 1 - codegen/templates/package.py.jinja | 9 ++------- codegen/templates/simulation.py.jinja | 9 ++------- 3 files changed, 4 insertions(+), 15 deletions(-) diff --git a/codegen/make.py b/codegen/make.py index 3d62126e..ef2f4eac 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -26,7 +26,6 @@ def _get_template_env(): env.filters["clean"] = Filters.clean env.filters["type_str"] = Filters.type_str env.filters["type_docstr"] = Filters.type_docstr - env.filters["has_optional_or_default"] = Filters.has_optional_or_default env.filters["class_name"] = Filters.class_name return env diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 4ec694bf..9104871f 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -14,7 +14,7 @@ from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package -@xattree +@xattree(kw_only=True) class MF{{ dfn.name|class_name }}(Package): """ MF{{dfn.name|class_name}} defines a {{dfn.name}} package. @@ -33,11 +33,6 @@ class MF{{ dfn.name|class_name }}(Package): {% endfor %} - {# All non-optional parameters go first. #} - {% for attr in dfn | attrs if not attr | has_optional_or_default %} - {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} - {% endfor %} - {# Optional parameters go last. #} - {% for attr in dfn | attrs if attr | has_optional_or_default %} + {% for attr in dfn | attrs %} {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 0329c406..87245aa2 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -24,7 +24,7 @@ def convert_time(value): return value raise TypeError(f"Expected ModelTime or Tdis, got {type(value)}") -@xattree +@xattree(kw_only=True) class MF{{dfn.name|class_name}}(Context): """ MF{{dfn.name|class_name}} is used to load, build, and/or save a MODFLOW 6 simulation. @@ -45,12 +45,7 @@ class MF{{dfn.name|class_name}}(Context): {% endif %} {% endfor %} - {# All non-optional parameters go first. #} - {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) if not attr|has_optional_or_default %} - {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr)|indent(4) }} - {% endfor %} - {# Optional parameters go last. #} - {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) if attr|has_optional_or_default %} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr)|indent(4) }} {% endfor %} models: dict[str, Model] = field(metadata={"block": "models"}, default={}) From 6007565e6f311292584cec078f88d2e38b48385f Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 11:41:04 +0200 Subject: [PATCH 20/44] Improve documentation Subclasses have their own docstrings --- codegen/filters.py | 9 --------- codegen/make.py | 1 - codegen/templates/macros.py.jinja | 21 ++++----------------- codegen/templates/model.py.jinja | 8 +++++--- codegen/templates/package.py.jinja | 13 ++++++++----- codegen/templates/record.py.jinja | 10 ++++++++++ codegen/templates/simulation.py.jinja | 4 +++- 7 files changed, 30 insertions(+), 36 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index f20ebe97..dd60d122 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -53,10 +53,6 @@ def children(var: dict) -> Optional[dict]: return choices return None - @staticmethod - def variables(dfn: dict) -> dict[str, dict]: - return _get_vars(dfn) - @staticmethod def attrs(dfn: dict) -> list[dict]: """ @@ -131,11 +127,6 @@ def type_docstr(attr: dict[str, Any]) -> str: py_type = Filters._python_type(attr) return Filters._type_to_string(py_type, docstring=True) - @staticmethod - def has_optional_or_default(attr: dict[str, Any]) -> bool: - """Check if the attribute has an optional type or a default value.""" - return attr.get("optional", False) or "default" in attr - @staticmethod def class_name(name: str) -> str: """Convert a string to a valid Python class name. diff --git a/codegen/make.py b/codegen/make.py index ef2f4eac..3ce96dde 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -17,7 +17,6 @@ def _get_template_env(): keep_trailing_newline=True, ) - env.filters["variables"] = Filters.variables env.filters["attrs"] = Filters.attrs env.filters["children"] = Filters.children env.filters["safe_name"] = Filters.safe_name diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 312ae8e5..2578aa00 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -1,21 +1,8 @@ -{% macro docstrings(vars, recurse=true) %} -{% for var in vars.values() recursive %} -{% set v = var %} -{% set n = v.name|safe_name %} -{% set children = v|children %} -{% if loop.depth > 1 %}* {% endif %}{{ n }} : {{ v|type_docstr }} -{% if v.description is defined and v.description is not none %} -{{ v.description|clean|math|wordwrap|indent(loop.depth * 4, first=true) }} +{% macro docstrings(var) %} +{{ var.name|safe_name }} : {{ var|type_docstr }} +{% if var.description is defined and var.description is not none %} + {{ var.description|clean|math|wordwrap|indent(4) }} {% endif %} -{% if recurse and children is not none %} -{% if v.type == "list" and children|length == 1 and (children.values()|first).type in ["record", "union"] %} -{% set grandchildren = (children.values()|first)|children %} -{{ loop(grandchildren.values())|indent(loop.depth * 4, first=true) }} -{% else %} -{{ loop(children.values())|indent(loop.depth * 4, first=true) }} -{% endif %} -{% endif %} -{% endfor %} {%- endmacro %} {% macro xattree_field(attr) %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index 499f8c0b..3e63d9a2 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -13,11 +13,13 @@ from flopy4.mf6.spec import field @xattree(kw_only=True) class MF{{ dfn.name|class_name }}(Model): """ - MF{dfn.name|class_name} defines a {dfn.name} model." + MF{{ dfn.name|class_name }} defines a {{ dfn.name }} model. Parameters ---------- - {{ macros.docstrings(dfn|variables)|indent(4) }} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} + {{ macros.docstrings(attr)|indent(4) -}} + {% endfor %} """ {# Create inner classes for records #} @@ -26,6 +28,6 @@ class MF{{ dfn.name|class_name }}(Model): {% endfor %} - {% for attr in dfn | attrs %} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} {% endfor %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 9104871f..daaa8452 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -1,6 +1,6 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} -{% set container = dfn.ref is defined and name[0] not in ["sln", "sim"] and name[1] not in ["hpc"] %} +{% set custom_fields = [] %} from os import PathLike from typing import ClassVar @@ -8,27 +8,30 @@ from typing import ClassVar import numpy as np from attrs import Converter from numpy.typing import NDArray -from xattree import array, field, xattree, define +from xattree import xattree, define from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field @xattree(kw_only=True) class MF{{ dfn.name|class_name }}(Package): """ - MF{{dfn.name|class_name}} defines a {{dfn.name}} package. + MF{{ dfn.name|class_name }} defines a {{ dfn.name }} package. Parameters ---------- - {{ macros.docstrings(dfn|variables)|indent(4) }} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields)%} + {{ macros.docstrings(attr)|indent(4) -}} + {% endfor %} """ {% if dfn.multi %} multi_package: ClassVar[bool] = True {% endif %} {# Create inner classes for records #} - {% for attr in dfn|attrs if attr.type == "record" %} + {% for attr in dfn|attrs if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% include "record.py.jinja" %} {% endfor %} diff --git a/codegen/templates/record.py.jinja b/codegen/templates/record.py.jinja index 3a766262..9bf24667 100644 --- a/codegen/templates/record.py.jinja +++ b/codegen/templates/record.py.jinja @@ -1,5 +1,15 @@ @define class {{ attr.name|class_name}}: + """ + {{ attr.longname }} + {{ attr.description }} + + Parameters + ---------- + {% for _, field in attr.fields.items() %} + {{ macros.docstrings(field)|indent(8) }} + {% endfor %} + """ {% for _, field in attr.fields.items() %} {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 87245aa2..0c104f6b 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -33,7 +33,9 @@ class MF{{dfn.name|class_name}}(Context): Parameters ---------- - {{ macros.docstrings(dfn|variables)|indent(4) }} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields)%} + {{ macros.docstrings(attr)|indent(4) -}} + {% endfor %} """ {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {% if attr.type == "record" %} From a928982d32d8f75226442fa8fd268ca6b1997ab0 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 11:49:50 +0200 Subject: [PATCH 21/44] Fix tdis --- codegen/templates/simulation.py.jinja | 26 ++++++++------------------ 1 file changed, 8 insertions(+), 18 deletions(-) diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 0c104f6b..f976e73c 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -12,15 +12,15 @@ from xattree import xattree, define from flopy4.mf6.context import Context from flopy4.mf6.exchange import Exchange from flopy4.mf6.model import Model -from flopy4.mf6.modflow.tdis import Tdis +from flopy4.mf6.modflow.mfsimtdis import MFSimTdis from flopy4.mf6.solution import Solution from flopy4.mf6.spec import field def convert_time(value): if isinstance(value, ModelTime): - return Tdis.from_time(value) - if isinstance(value, Tdis): + return MFSimTdis.from_time(value) + if isinstance(value, MFSimTdis): return value raise TypeError(f"Expected ModelTime or Tdis, got {type(value)}") @@ -37,7 +37,7 @@ class MF{{dfn.name|class_name}}(Context): {{ macros.docstrings(attr)|indent(4) -}} {% endfor %} """ - {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} + {% for attr in dfn|attrs if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% if attr.type == "record" %} {% include "record.py.jinja" %} @@ -50,10 +50,10 @@ class MF{{dfn.name|class_name}}(Context): {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr)|indent(4) }} {% endfor %} - models: dict[str, Model] = field(metadata={"block": "models"}, default={}) - exchanges: dict[str, Exchange] = field(metadata={"block": "exchanges"}, default={}) - solutions: dict[str, Solution] = field(metadata={"block": "solutiongroup"}, default={}) - tdis: Tdis = field(metadata={"block": "timing"}) + tdis: MFSimTdis = field(block="timing") + models: dict[str, Model] = field(block="models") + exchanges: dict[str, Exchange] = field(block="exchanges") + solutions: dict[str, Solution] = field(block="solutiongroup") def __attrs_post_init__(self): super().__attrs_post_init__() @@ -78,13 +78,3 @@ class MF{{dfn.name|class_name}}(Context): f"Simulation {self.name}: {exe} failed with " # type: ignore f"return code {ret}, output:\n\n{out + err} " ) - - def load(self, format="ascii") -> None: - """Load the simulation.""" - with cd(self.workspace): - super().load(format=format) - - def write(self, format="ascii") -> None: - """Write the simulation.""" - with cd(self.workspace): - super().write(format=format) From 9e537cb39adc61012cd59f3485d26fb5ba773c76 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 11:53:11 +0200 Subject: [PATCH 22/44] Remove legacy_dir --- codegen/generate_classes.py | 2 +- codegen/make.py | 1 - 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/codegen/generate_classes.py b/codegen/generate_classes.py index eb713877..11af1fd1 100644 --- a/codegen/generate_classes.py +++ b/codegen/generate_classes.py @@ -86,7 +86,7 @@ def generate_classes( shutil.rmtree(_MF6_AUTOGEN_PATH, ignore_errors=True) _MF6_AUTOGEN_PATH.mkdir(parents=True) - make_all(tomlpath, _MF6_AUTOGEN_PATH, version=2, legacydir=dfnpath) + make_all(tomlpath, _MF6_AUTOGEN_PATH, version=2) if verbose: files = list(_MF6_AUTOGEN_PATH.glob("*.py")) print(f"Generated {len(files)} module files in: {_MF6_AUTOGEN_PATH}") diff --git a/codegen/make.py b/codegen/make.py index 3ce96dde..fbbf22d4 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -77,7 +77,6 @@ def make_all( outdir: PathLike, verbose: bool = False, version: int = 1, - legacydir: PathLike | None = None, ): """Generate Python source files from the DFN files in the given location.""" dfndir = Path(dfndir).expanduser().resolve().absolute() From 1401aed6f19c174ff7aee12e936e7b9bdcd6dad5 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 11:53:37 +0200 Subject: [PATCH 23/44] sim- are packages, not models --- codegen/make.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/codegen/make.py b/codegen/make.py index fbbf22d4..bfcea189 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -58,7 +58,7 @@ def _get_template_name(dfn) -> str: parent = dfn.get("parent", None) if parent is None: return "simulation.py.jinja" - elif parent == "sim": + elif parent == "sim" and not dfn["name"].startswith("sim-"): return "model.py.jinja" else: return "package.py.jinja" From ec66c45efcd73cfcd530b14d379f56462e697471 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 11:59:15 +0200 Subject: [PATCH 24/44] keyword arguments in make --- codegen/generate_classes.py | 2 +- codegen/make.py | 9 +++++---- 2 files changed, 6 insertions(+), 5 deletions(-) diff --git a/codegen/generate_classes.py b/codegen/generate_classes.py index 11af1fd1..a95a2521 100644 --- a/codegen/generate_classes.py +++ b/codegen/generate_classes.py @@ -86,7 +86,7 @@ def generate_classes( shutil.rmtree(_MF6_AUTOGEN_PATH, ignore_errors=True) _MF6_AUTOGEN_PATH.mkdir(parents=True) - make_all(tomlpath, _MF6_AUTOGEN_PATH, version=2) + make_all(dfndir=tomlpath, outdir=_MF6_AUTOGEN_PATH, version=2) if verbose: files = list(_MF6_AUTOGEN_PATH.glob("*.py")) print(f"Generated {len(files)} module files in: {_MF6_AUTOGEN_PATH}") diff --git a/codegen/make.py b/codegen/make.py index bfcea189..a54cdb0a 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -30,7 +30,7 @@ def _get_template_env(): return env -def make_init(dfns: dict, outdir: PathLike, verbose: bool = False): +def _make_init(dfns: dict, *, outdir: PathLike, verbose: bool = False): """Generate a Python __init__.py file for the given input definitions.""" env = _get_template_env() outdir = Path(outdir).expanduser().absolute() @@ -49,7 +49,7 @@ def _format_files(folder: PathLike): subprocess.run(["ruff", "check", "--fix", folder], check=True, text=True) -def make_targets(dfn, outdir: PathLike, verbose: bool = False): +def _make_targets(dfn, *, outdir: PathLike, verbose: bool = False): """Generate Python source file(s) from the given input definition.""" env = _get_template_env() outdir = Path(outdir).expanduser().resolve().absolute() @@ -73,6 +73,7 @@ def _get_template_name(dfn) -> str: def make_all( + *, dfndir: PathLike, outdir: PathLike, verbose: bool = False, @@ -82,7 +83,7 @@ def make_all( dfndir = Path(dfndir).expanduser().resolve().absolute() dfns = Dfn.load_all(dfndir, version=version) - make_init(dfns, outdir, verbose) + _make_init(dfns, outdir=outdir, verbose=verbose) for dfn in dfns.values(): - make_targets(dfn, outdir, verbose) + _make_targets(dfn, outdir=outdir, verbose=verbose) _format_files(outdir) From d21d4f9f3698e92ac905949511e1ecefa48433c3 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 12:52:46 +0200 Subject: [PATCH 25/44] Generate recarray as record --- codegen/filters.py | 41 ++++++++++++++++----------- codegen/templates/macros.py.jinja | 3 +- codegen/templates/model.py.jinja | 7 ++++- codegen/templates/package.py.jinja | 7 ++++- codegen/templates/recarray.py.jinja | 12 +++++++- codegen/templates/record.py.jinja | 2 +- codegen/templates/simulation.py.jinja | 6 ++-- 7 files changed, 53 insertions(+), 25 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index dd60d122..da0d239c 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -2,7 +2,7 @@ from enum import Enum from keyword import kwlist from os import PathLike -from typing import Any, ForwardRef, Optional, Union, get_args, get_origin +from typing import Any, ForwardRef, Literal, Optional, Union, get_args, get_origin import numpy as np from boltons.iterutils import default_enter, remap @@ -120,12 +120,12 @@ def value(v: Any) -> str: @staticmethod def type_str(attr: dict[str, Any]) -> str: py_type = Filters._python_type(attr) - return Filters._type_to_string(py_type, docstring=False) + return Filters._type_to_string(py_type, type_sep="|", optional="| None") @staticmethod def type_docstr(attr: dict[str, Any]) -> str: py_type = Filters._python_type(attr) - return Filters._type_to_string(py_type, docstring=True) + return Filters._type_to_string(py_type, type_sep="or", optional=", optional") @staticmethod def class_name(name: str) -> str: @@ -178,13 +178,18 @@ def _python_type(attr: dict[str, Any]) -> type | ForwardRef: return py_type @staticmethod - def _type_to_string(t: type | ForwardRef, docstring: bool = False) -> str: + def _type_to_string( + t: type | ForwardRef, + *, + type_sep: Literal["|", "or"], + optional: Literal[", optional", "| None"], + ) -> str: """Convert a type to its string representation. Args: t: The type to convert - docstring: If True, format for docstrings (use 'or', 'optional'). - If False, format for code (use '|', '| None'). + type_sep: The separator to use for multiple types (either '|' or 'or') + optional: The string to append for optional types (either '| None' or ', optional') """ # Handle None type @@ -211,24 +216,26 @@ def _type_to_string(t: type | ForwardRef, docstring: bool = False) -> str: if len(args) == 2 and type(None) in args: # This is Optional[T] which is Union[T, None] non_none_type = args[0] if args[1] is type(None) else args[1] - non_none_str = Filters._type_to_string(non_none_type, docstring) - if docstring: - return f"{non_none_str}, optional" - else: - return f"{non_none_str} | None" + non_none_str = Filters._type_to_string( + non_none_type, type_sep=type_sep, optional=optional + ) + return f"{non_none_str}{optional}" else: # Regular Union - arg_strs = [Filters._type_to_string(arg, docstring) for arg in args] - if docstring: - return " or ".join(arg_strs) - else: - return " | ".join(arg_strs) + arg_strs = [ + Filters._type_to_string(arg, type_sep=type_sep, optional=optional) + for arg in args + ] + return f" {type_sep} ".join(arg_strs) # Handle other generic types (list, dict, NDArray, etc.) if hasattr(origin, "__name__"): origin_name = origin.__name__ if args: - arg_strs = [Filters._type_to_string(arg, docstring) for arg in args] + arg_strs = [ + Filters._type_to_string(arg, type_sep=type_sep, optional=optional) + for arg in args + ] return f"{origin_name}[{', '.join(arg_strs)}]" return origin_name diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 2578aa00..4ef78bfd 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -37,8 +37,7 @@ block="{{ attr.block }}" {%- endmacro %} {% macro dims_in_field(attr) %} -{# TODO: Just use the last one on a semi-colon, throw away the rest #} -{% set trimmed_shape_str = attr.shape[1:-1]|replace(";",",") %} +{% set trimmed_shape_str = attr.shape[1:-1] %} {% set dims = trimmed_shape_str.split(",") %} , dims=({% for dim in dims %}"{{dim|trim}}",{% endfor %}) {%- endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index 3e63d9a2..c527aa5a 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -23,9 +23,14 @@ class MF{{ dfn.name|class_name }}(Model): """ {# Create inner classes for records #} - {% for attr in dfn|attrs if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} + {% for attr in dfn|attrs %} + {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% include "record.py.jinja" %} + {% elif attr.type == "recarray" %} + {% include "recarray.py.jinja" %} + + {% endif %} {% endfor %} {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index daaa8452..83ff7504 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -31,9 +31,14 @@ class MF{{ dfn.name|class_name }}(Package): {% endif %} {# Create inner classes for records #} - {% for attr in dfn|attrs if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} + {% for attr in dfn|attrs %} + {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% include "record.py.jinja" %} + {% elif attr.type == "recarray" %} + {% include "recarray.py.jinja" %} + + {% endif %} {% endfor %} {% for attr in dfn | attrs %} diff --git a/codegen/templates/recarray.py.jinja b/codegen/templates/recarray.py.jinja index 94c738e9..006efa23 100644 --- a/codegen/templates/recarray.py.jinja +++ b/codegen/templates/recarray.py.jinja @@ -1,5 +1,15 @@ - @define + @define(kw_only=True) class {{ attr.item.name|class_name}}: + """ + {{ attr.item.longname }} + {{ attr.item.description }} + + Parameters + ---------- + {% for _, field in attr.item.fields.items() %} + {{ macros.docstrings(field)|indent(8) }} + {% endfor %} + """ {% for _, field in attr.item.fields.items() %} {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) {% endfor %} diff --git a/codegen/templates/record.py.jinja b/codegen/templates/record.py.jinja index 9bf24667..04181554 100644 --- a/codegen/templates/record.py.jinja +++ b/codegen/templates/record.py.jinja @@ -1,4 +1,4 @@ - @define + @define(kw_only=True) class {{ attr.name|class_name}}: """ {{ attr.longname }} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index f976e73c..00df613c 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -37,8 +37,10 @@ class MF{{dfn.name|class_name}}(Context): {{ macros.docstrings(attr)|indent(4) -}} {% endfor %} """ - {% for attr in dfn|attrs if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} - {% if attr.type == "record" %} + + {# Create inner classes for records #} + {% for attr in dfn|attrs %} + {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% include "record.py.jinja" %} {% elif attr.type == "recarray" %} From a26710033e4095ea04a1b1ae8cb2e771d56fd688 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 15:24:40 +0200 Subject: [PATCH 26/44] Try to extract extra attributes for recarray Store them directly in the class, not as an inner class --- codegen/filters.py | 31 ++++++++++----------------- codegen/make.py | 1 - codegen/templates/model.py.jinja | 3 --- codegen/templates/package.py.jinja | 3 --- codegen/templates/recarray.py.jinja | 15 ------------- codegen/templates/simulation.py.jinja | 3 --- 6 files changed, 11 insertions(+), 45 deletions(-) delete mode 100644 codegen/templates/recarray.py.jinja diff --git a/codegen/filters.py b/codegen/filters.py index da0d239c..a97b26bf 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -22,7 +22,15 @@ def _get_vars(d: dict) -> dict[str, dict]: def visit(p, k, v): if isinstance(v, dict) and "type" in v: - vars_[k] = v + if v.get("type") == "recarray": + # Add extra dimension to recarray items + for _, item in v["item"]["fields"].items(): + if v.get("shape", None) is not None: + item["shape"] = v["shape"] + # Add all info from every item to vars_ + vars_.update(v["item"]["fields"].items()) + else: + vars_[k] = v return True def enter(p, k, v): @@ -36,23 +44,6 @@ def enter(p, k, v): class Filters: - @staticmethod - def children(var: dict) -> Optional[dict]: - _type = var["type"] - items = var.get("items", None) - fields = var.get("fields", None) - choices = var.get("choices", None) - if items: - assert _type == "recarray" - return items - if fields: - assert _type == "record" - return fields - if choices: - assert _type == "keystring" - return choices - return None - @staticmethod def attrs(dfn: dict) -> list[dict]: """ @@ -106,6 +97,7 @@ def clean(v: str) -> str: v = v.replace(s1, s2) return v + @staticmethod def value(v: Any) -> str: """ Format a value to appear in the RHS of an assignment or argument- @@ -150,12 +142,11 @@ def _python_type(attr: dict[str, Any]) -> type | ForwardRef: "double precision": float, "string": str, "keyword": bool, - "recarray": dict, } # options with a shape are lists if attr.get("shape", None) and attr["type"] == "string": - py_type: Any = list[str] + py_type: Any = NDArray[np.object_] elif attr.get("shape", None) and attr["type"] in ["real", "double precision"]: py_type = NDArray[np.float64] elif attr.get("shape", None) and attr["type"] == "integer": diff --git a/codegen/make.py b/codegen/make.py index a54cdb0a..f8fc8125 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -18,7 +18,6 @@ def _get_template_env(): ) env.filters["attrs"] = Filters.attrs - env.filters["children"] = Filters.children env.filters["safe_name"] = Filters.safe_name env.filters["value"] = Filters.value env.filters["math"] = Filters.math diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index c527aa5a..2223423b 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -27,9 +27,6 @@ class MF{{ dfn.name|class_name }}(Model): {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% include "record.py.jinja" %} - {% elif attr.type == "recarray" %} - {% include "recarray.py.jinja" %} - {% endif %} {% endfor %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 83ff7504..548e3099 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -35,9 +35,6 @@ class MF{{ dfn.name|class_name }}(Package): {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% include "record.py.jinja" %} - {% elif attr.type == "recarray" %} - {% include "recarray.py.jinja" %} - {% endif %} {% endfor %} diff --git a/codegen/templates/recarray.py.jinja b/codegen/templates/recarray.py.jinja deleted file mode 100644 index 006efa23..00000000 --- a/codegen/templates/recarray.py.jinja +++ /dev/null @@ -1,15 +0,0 @@ - @define(kw_only=True) - class {{ attr.item.name|class_name}}: - """ - {{ attr.item.longname }} - {{ attr.item.description }} - - Parameters - ---------- - {% for _, field in attr.item.fields.items() %} - {{ macros.docstrings(field)|indent(8) }} - {% endfor %} - """ - {% for _, field in attr.item.fields.items() %} - {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) - {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 00df613c..dea489bd 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -43,9 +43,6 @@ class MF{{dfn.name|class_name}}(Context): {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} {% include "record.py.jinja" %} - {% elif attr.type == "recarray" %} - {% include "recarray.py.jinja" %} - {% endif %} {% endfor %} From ec0792380dc6f058306ed15533c5b709d7e21bd5 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 16:18:16 +0200 Subject: [PATCH 27/44] Add special case for numpy arrays --- codegen/filters.py | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/codegen/filters.py b/codegen/filters.py index a97b26bf..680f031b 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -219,6 +219,17 @@ def _type_to_string( ] return f" {type_sep} ".join(arg_strs) + if origin is np.ndarray: + if args: + if len(args) >= 2: + # Extract the dtype from the second argument + dtype_arg = args[1].__args__[0] + else: + dtype_arg = args[0].__args__[0] + dtype_str = Filters._type_to_string(dtype_arg, type_sep=type_sep, optional=optional) + return f"NDArray[np.{dtype_str}]" + return "NDArray" + # Handle other generic types (list, dict, NDArray, etc.) if hasattr(origin, "__name__"): origin_name = origin.__name__ From b749202f985d76260caf3e5d2b5171962da51522 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 16:20:59 +0200 Subject: [PATCH 28/44] Move private functions to top of file --- codegen/filters.py | 226 ++++++++++++++++++++++----------------------- 1 file changed, 108 insertions(+), 118 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index 680f031b..cdac6fc0 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -43,6 +43,110 @@ def enter(p, k, v): return vars_ +def _python_type(attr: dict[str, Any]) -> type | ForwardRef: + """ + Get the Python type of the attribute, e.g. int, str, float, + list, dict, etc. + """ + types: dict[str, type] = { + "integer": int, + "real": float, + "double precision": float, + "string": str, + "keyword": bool, + } + + # options with a shape are lists + if attr.get("shape", None) and attr["type"] == "string": + py_type: Any = NDArray[np.object_] + elif attr.get("shape", None) and attr["type"] in ["real", "double precision"]: + py_type = NDArray[np.float64] + elif attr.get("shape", None) and attr["type"] == "integer": + py_type = NDArray[np.int64] + elif attr["type"] == "record": + if any(field in attr["fields"] for field in ["filein", "fileout"]): + py_type = os.PathLike + else: + py_type = ForwardRef(Filters.class_name(attr["name"]), is_argument=False, is_class=True) + elif "file" in attr["name"]: + py_type = PathLike + else: + py_type = types.get(attr["type"], Any) + + if attr.get("optional", False): + py_type = Optional[py_type] + + return py_type + + +def _type_to_string( + t: type | ForwardRef, + *, + type_sep: Literal["|", "or"], + optional: Literal[", optional", "| None"], +) -> str: + """Convert a type to its string representation. + + Args: + t: The type to convert + type_sep: The separator to use for multiple types (either '|' or 'or') + optional: The string to append for optional types (either '| None' or ', optional') + """ + + # Handle None type + if t is type(None): + return "None" + + if type(t) is ForwardRef: + return t.__forward_arg__ + + # Handle basic types with __name__ + if hasattr(t, "__name__") and not hasattr(t, "__origin__"): + return t.__name__ + + # Handle generic types and special forms + origin = get_origin(t) + args = get_args(t) + + if origin is None: + # Fallback for types without origin + return getattr(t, "__name__", str(t)) + + # Handle Union types (including Optional) + if origin is Union: + if len(args) == 2 and type(None) in args: + # This is Optional[T] which is Union[T, None] + non_none_type = args[0] if args[1] is type(None) else args[1] + non_none_str = _type_to_string(non_none_type, type_sep=type_sep, optional=optional) + return f"{non_none_str}{optional}" + else: + # Regular Union + arg_strs = [_type_to_string(arg, type_sep=type_sep, optional=optional) for arg in args] + return f" {type_sep} ".join(arg_strs) + + if origin is np.ndarray: + if args: + if len(args) >= 2: + # Extract the dtype from the second argument + dtype_arg = args[1].__args__[0] + else: + dtype_arg = args[0].__args__[0] + dtype_str = _type_to_string(dtype_arg, type_sep=type_sep, optional=optional) + return f"NDArray[np.{dtype_str}]" + return "NDArray" + + # Handle other generic types (list, dict, NDArray, etc.) + if hasattr(origin, "__name__"): + origin_name = origin.__name__ + if args: + arg_strs = [_type_to_string(arg, type_sep=type_sep, optional=optional) for arg in args] + return f"{origin_name}[{', '.join(arg_strs)}]" + return origin_name + + # Fallback + return str(t) + + class Filters: @staticmethod def attrs(dfn: dict) -> list[dict]: @@ -111,13 +215,13 @@ def value(v: Any) -> str: @staticmethod def type_str(attr: dict[str, Any]) -> str: - py_type = Filters._python_type(attr) - return Filters._type_to_string(py_type, type_sep="|", optional="| None") + py_type = _python_type(attr) + return _type_to_string(py_type, type_sep="|", optional="| None") @staticmethod def type_docstr(attr: dict[str, Any]) -> str: - py_type = Filters._python_type(attr) - return Filters._type_to_string(py_type, type_sep="or", optional=", optional") + py_type = _python_type(attr) + return _type_to_string(py_type, type_sep="or", optional=", optional") @staticmethod def class_name(name: str) -> str: @@ -129,117 +233,3 @@ def class_name(name: str) -> str: name = name.replace("-", "_") # capitalize each word and join them return "".join(word.capitalize() for word in name.split("_")) - - @staticmethod - def _python_type(attr: dict[str, Any]) -> type | ForwardRef: - """ - Get the Python type of the attribute, e.g. int, str, float, - list, dict, etc. - """ - types: dict[str, type] = { - "integer": int, - "real": float, - "double precision": float, - "string": str, - "keyword": bool, - } - - # options with a shape are lists - if attr.get("shape", None) and attr["type"] == "string": - py_type: Any = NDArray[np.object_] - elif attr.get("shape", None) and attr["type"] in ["real", "double precision"]: - py_type = NDArray[np.float64] - elif attr.get("shape", None) and attr["type"] == "integer": - py_type = NDArray[np.int64] - elif attr["type"] == "record": - if any(field in attr["fields"] for field in ["filein", "fileout"]): - py_type = os.PathLike - else: - py_type = ForwardRef( - Filters.class_name(attr["name"]), is_argument=False, is_class=True - ) - elif "file" in attr["name"]: - py_type = PathLike - else: - py_type = types.get(attr["type"], Any) - - if attr.get("optional", False): - py_type = Optional[py_type] - - return py_type - - @staticmethod - def _type_to_string( - t: type | ForwardRef, - *, - type_sep: Literal["|", "or"], - optional: Literal[", optional", "| None"], - ) -> str: - """Convert a type to its string representation. - - Args: - t: The type to convert - type_sep: The separator to use for multiple types (either '|' or 'or') - optional: The string to append for optional types (either '| None' or ', optional') - """ - - # Handle None type - if t is type(None): - return "None" - - if type(t) is ForwardRef: - return t.__forward_arg__ - - # Handle basic types with __name__ - if hasattr(t, "__name__") and not hasattr(t, "__origin__"): - return t.__name__ - - # Handle generic types and special forms - origin = get_origin(t) - args = get_args(t) - - if origin is None: - # Fallback for types without origin - return getattr(t, "__name__", str(t)) - - # Handle Union types (including Optional) - if origin is Union: - if len(args) == 2 and type(None) in args: - # This is Optional[T] which is Union[T, None] - non_none_type = args[0] if args[1] is type(None) else args[1] - non_none_str = Filters._type_to_string( - non_none_type, type_sep=type_sep, optional=optional - ) - return f"{non_none_str}{optional}" - else: - # Regular Union - arg_strs = [ - Filters._type_to_string(arg, type_sep=type_sep, optional=optional) - for arg in args - ] - return f" {type_sep} ".join(arg_strs) - - if origin is np.ndarray: - if args: - if len(args) >= 2: - # Extract the dtype from the second argument - dtype_arg = args[1].__args__[0] - else: - dtype_arg = args[0].__args__[0] - dtype_str = Filters._type_to_string(dtype_arg, type_sep=type_sep, optional=optional) - return f"NDArray[np.{dtype_str}]" - return "NDArray" - - # Handle other generic types (list, dict, NDArray, etc.) - if hasattr(origin, "__name__"): - origin_name = origin.__name__ - if args: - arg_strs = [ - Filters._type_to_string(arg, type_sep=type_sep, optional=optional) - for arg in args - ] - return f"{origin_name}[{', '.join(arg_strs)}]" - return origin_name - - # Fallback - return str(t) From c44a1527d799571c186a689cbd094b29ca0e85f4 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 16:22:14 +0200 Subject: [PATCH 29/44] Relative path for dfn path in debugger --- .vscode/launch.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.vscode/launch.json b/.vscode/launch.json index 54a7ba49..f7f9bebd 100644 --- a/.vscode/launch.json +++ b/.vscode/launch.json @@ -10,7 +10,7 @@ "request": "launch", "module": "codegen.generate_classes", "args": [ - "--dfnpath=c:/Users/kraus/Source/Repos/pyphoenix-project/dfn/" + "--dfnpath=${workspaceFolder}/dfn/" ] }, { From c7795de6b38287dac49d31133636999a28a7782d Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 16:45:34 +0200 Subject: [PATCH 30/44] Add dim() to dimensions instead of field() --- codegen/filters.py | 5 +++++ codegen/make.py | 1 + codegen/templates/macros.py.jinja | 12 +++++++++++- codegen/templates/model.py.jinja | 2 +- codegen/templates/package.py.jinja | 4 ++-- codegen/templates/simulation.py.jinja | 2 +- 6 files changed, 21 insertions(+), 5 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index cdac6fc0..602d880a 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -233,3 +233,8 @@ def class_name(name: str) -> str: name = name.replace("-", "_") # capitalize each word and join them return "".join(word.capitalize() for word in name.split("_")) + + @staticmethod + def is_dis_or_tdis(dfn: dict[str, Any]) -> bool: + name_split = dfn["name"].split("-") + return len(name_split) > 1 and name_split[1] in ["dis", "tdis"] diff --git a/codegen/make.py b/codegen/make.py index f8fc8125..76670a97 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -25,6 +25,7 @@ def _get_template_env(): env.filters["type_str"] = Filters.type_str env.filters["type_docstr"] = Filters.type_docstr env.filters["class_name"] = Filters.class_name + env.filters["is_dis_or_tdis"] = Filters.is_dis_or_tdis return env diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 4ef78bfd..97a62fe7 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -5,13 +5,19 @@ {% endif %} {%- endmacro %} -{% macro xattree_field(attr) %} +{% macro xattree_field(attr, dfn) %} {% if "shape" in attr %} array( {{- metadata(attr) }} {{- default_in_field(attr) }} {{- dims_in_field(attr) }} {{- converter_in_field(attr) }}) +{%- elif attr["block"] == "dimensions" and dfn|is_dis_or_tdis %} +dim( + {{- metadata(attr) }} + {{- scope_in_field(dfn)}} + {{- default_in_field(attr) }} +) {%- else %} field( {{- metadata(attr) }} @@ -20,6 +26,10 @@ field( {%- endif %} {%- endmacro %} +{% macro scope_in_field(dfn) %} +, scope="{{ dfn.parent }}" +{%- endmacro %} + {% macro metadata(attr) %} block="{{ attr.block }}" {%- endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index 2223423b..0402e29a 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -31,5 +31,5 @@ class MF{{ dfn.name|class_name }}(Model): {% endfor %} {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} - {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} + {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) | indent(4) }} {% endfor %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 548e3099..9473f496 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -12,7 +12,7 @@ from xattree import xattree, define from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package -from flopy4.mf6.spec import array, field +from flopy4.mf6.spec import array, field, dim @xattree(kw_only=True) @@ -39,5 +39,5 @@ class MF{{ dfn.name|class_name }}(Package): {% endfor %} {% for attr in dfn | attrs %} - {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr) | indent(4) }} + {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) | indent(4) }} {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index dea489bd..6f1450ad 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -47,7 +47,7 @@ class MF{{dfn.name|class_name}}(Context): {% endfor %} {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} - {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr)|indent(4) }} + {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn)|indent(4) }} {% endfor %} tdis: MFSimTdis = field(block="timing") models: dict[str, Model] = field(block="models") From 7cc73b3214f610f4c2ad09337afc78767656a007 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 16:56:12 +0200 Subject: [PATCH 31/44] Add maxbound hook and reader in array --- codegen/templates/macros.py.jinja | 16 ++++++++++++++-- codegen/templates/package.py.jinja | 1 + 2 files changed, 15 insertions(+), 2 deletions(-) diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 97a62fe7..16a80e86 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -11,7 +11,10 @@ array( {{- metadata(attr) }} {{- default_in_field(attr) }} {{- dims_in_field(attr) }} - {{- converter_in_field(attr) }}) + {{- converter_in_field(attr) }} + {{- on_setattr_in_field(attr) }} + {{- reader_in_field(attr) }} +) {%- elif attr["block"] == "dimensions" and dfn|is_dis_or_tdis %} dim( {{- metadata(attr) }} @@ -22,7 +25,8 @@ dim( field( {{- metadata(attr) }} {{- default_in_field(attr) }} - {{- init_in_field(attr) }}) + {{- init_in_field(attr) }} +) {%- endif %} {%- endmacro %} @@ -30,6 +34,14 @@ field( , scope="{{ dfn.parent }}" {%- endmacro %} +{% macro reader_in_field(attr) %} +, reader="{{ attr.reader }}" +{%- endmacro %} + +{% macro on_setattr_in_field(attr) %} +{% if attr.block == "period" %}, on_setattr=update_maxbound{% endif %} +{%- endmacro %} + {% macro metadata(attr) %} block="{{ attr.block }}" {%- endmacro %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 9473f496..9fc8e8b4 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -10,6 +10,7 @@ from attrs import Converter from numpy.typing import NDArray from xattree import xattree, define +from flopy4.mf6.attr_hooks import update_maxbound from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field, dim From d4c728d2b392eb38debfa753a159ca6cbded2e3d Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 17:29:32 +0200 Subject: [PATCH 32/44] Solutions are packages, not models --- codegen/make.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/codegen/make.py b/codegen/make.py index 76670a97..6afd5b41 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -58,7 +58,7 @@ def _get_template_name(dfn) -> str: parent = dfn.get("parent", None) if parent is None: return "simulation.py.jinja" - elif parent == "sim" and not dfn["name"].startswith("sim-"): + elif parent == "sim" and "-" not in dfn["name"]: return "model.py.jinja" else: return "package.py.jinja" From 740751bf54249ec4060fd6da5cefffade19e5ba8 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 17 Jul 2025 17:40:59 +0200 Subject: [PATCH 33/44] Add post_init function to package --- codegen/templates/package.py.jinja | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 9fc8e8b4..bc1efeb1 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -42,3 +42,11 @@ class MF{{ dfn.name|class_name }}(Package): {% for attr in dfn | attrs %} {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) | indent(4) }} {% endfor %} + + {% if dfn.period %} + def __attrs_post_init__(self) -> None: + # TODO: Check if this code actually works as intended + periods = [getattr(self, x.name) for x in self.__attrs_attrs__ if x.metadata.get("block") == "period"] + if any(x is not None for x in periods): + update_maxbound(self, None, None) + {% endif %} From 11f7ea15837e4be4e836fc50e63e2ba06283ba65 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Wed, 13 Aug 2025 09:36:38 +0200 Subject: [PATCH 34/44] Use python -m ruff instead of ruff directly --- codegen/make.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/codegen/make.py b/codegen/make.py index 6afd5b41..bbca2c45 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -45,8 +45,8 @@ def _make_init(dfns: dict, *, outdir: PathLike, verbose: bool = False): def _format_files(folder: PathLike): - subprocess.run(["ruff", "format", folder], check=True, text=True) - subprocess.run(["ruff", "check", "--fix", folder], check=True, text=True) + subprocess.run(["python", "-m", "ruff", "format", folder], check=True, text=True) + subprocess.run(["python", "-m", "ruff", "check", "--fix", folder], check=True, text=True) def _make_targets(dfn, *, outdir: PathLike, verbose: bool = False): From 0293902bd14336bdd6a4e2ed1d77d9b2c20538f1 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Wed, 13 Aug 2025 09:29:12 +0200 Subject: [PATCH 35/44] Add dfns that are of interest for the prototype --- dfn/common.dfn | 61 ++++++++ dfn/gwf-chd.dfn | 222 +++++++++++++++++++++++++++ dfn/gwf-dis.dfn | 228 +++++++++++++++++++++++++++ dfn/gwf-drn.dfn | 251 ++++++++++++++++++++++++++++++ dfn/gwf-ic.dfn | 33 ++++ dfn/gwf-nam.dfn | 226 +++++++++++++++++++++++++++ dfn/gwf-npf.dfn | 364 ++++++++++++++++++++++++++++++++++++++++++++ dfn/gwf-oc.dfn | 313 ++++++++++++++++++++++++++++++++++++++ dfn/gwf-rch.dfn | 221 +++++++++++++++++++++++++++ dfn/gwf-sto.dfn | 186 ++++++++++++++++++++++ dfn/gwf-wel.dfn | 276 +++++++++++++++++++++++++++++++++ dfn/sim-nam.dfn | 255 +++++++++++++++++++++++++++++++ dfn/sim-tdis.dfn | 113 ++++++++++++++ dfn/sln-ims.dfn | 389 +++++++++++++++++++++++++++++++++++++++++++++++ 14 files changed, 3138 insertions(+) create mode 100644 dfn/common.dfn create mode 100644 dfn/gwf-chd.dfn create mode 100644 dfn/gwf-dis.dfn create mode 100644 dfn/gwf-drn.dfn create mode 100644 dfn/gwf-ic.dfn create mode 100644 dfn/gwf-nam.dfn create mode 100644 dfn/gwf-npf.dfn create mode 100644 dfn/gwf-oc.dfn create mode 100644 dfn/gwf-rch.dfn create mode 100644 dfn/gwf-sto.dfn create mode 100644 dfn/gwf-wel.dfn create mode 100644 dfn/sim-nam.dfn create mode 100644 dfn/sim-tdis.dfn create mode 100644 dfn/sln-ims.dfn diff --git a/dfn/common.dfn b/dfn/common.dfn new file mode 100644 index 00000000..0fd5220c --- /dev/null +++ b/dfn/common.dfn @@ -0,0 +1,61 @@ +# constants from bcoptions.tex that are used to construct mf6 input variable descriptions + +name auxnames +description defines an array of one or more auxiliary variable names. There is no limit on the number of auxiliary variables that can be provided on this line; however, lists of information provided in subsequent blocks must have a column of data for each auxiliary variable name defined here. The number of auxiliary variables detected on this line determines the value for naux. Comments cannot be provided anywhere on this line as they will be interpreted as auxiliary variable names. Auxiliary variables may not be used by the package, but they will be available for use by other parts of the program. The program will terminate with an error if auxiliary variables are specified on more than one line in the options block. + +name auxmultname +description name of auxiliary variable to be used as multiplier of {#1}. + +name boundname +description name of the {#1} cell. BOUNDNAME is an ASCII character variable that can contain as many as 40 characters. If BOUNDNAME contains spaces in it, then the entire name must be enclosed within single quotes. + +name boundnames +description keyword to indicate that boundary names may be provided with the list of {#1} cells. + +name print_input +description keyword to indicate that the list of {#1} information will be written to the listing file immediately after it is read. + +name print_head +description keyword to indicate that the list of {#1} {#2} will be printed to the listing file for every stress period in which ``HEAD PRINT'' is specified in Output Control. If there is no Output Control option and PRINT\_{#3} is specified, then {#2} are printed for the last time step of each stress period. + +name print_concentration +description keyword to indicate that the list of {#1} {#2} will be printed to the listing file for every stress period in which ``CONCENTRATION PRINT'' is specified in Output Control. If there is no Output Control option and PRINT\_{#3} is specified, then {#2} are printed for the last time step of each stress period. + +name print_temperature +description keyword to indicate that the list of {#1} {#2} will be printed to the listing file for every stress period in which ``TEMPERATURE PRINT'' is specified in Output Control. If there is no Output Control option and PRINT\_{#3} is specified, then {#2} are printed for the last time step of each stress period. + +name print_flows +description keyword to indicate that the list of {#1} flow rates will be printed to the listing file for every stress period time step in which ``BUDGET PRINT'' is specified in Output Control. If there is no Output Control option and ``PRINT\_FLOWS'' is specified, then flow rates are printed for the last time step of each stress period. + +name save_flows +description keyword to indicate that {#1} flow terms will be written to the file specified with ``BUDGET FILEOUT'' in Output Control. + +name timeseriesfile +description defines a time-series file defining time series that can be used to assign time-varying values. See the ``Time-Variable Input'' section for instructions on using the time-series capability. + +name timearrayseriesfile +description defines a time-array-series file defining a time-array series that can be used to assign time-varying values. See the Time-Variable Input section for instructions on using the time-array series capability. + +name timearrayserieslayered +description name of a time-array-series file defining a time-array series that can be used to assign time-varying values when input is read in array form. See the Time-Variable Input section for instructions on using the time-array series capability. Valid only when the READASARRAYS option is used. + +name maxbound +description integer value specifying the maximum number of {#1} cells that will be specified for use during any stress period. + +name obs6_filename +description name of input file to define observations for the {#1} package. See the ``Observation utility'' section for instructions for preparing observation input files. Tables \ref{table:gwf-obstypetable} and \ref{table:gwt-obstypetable} lists observation type(s) supported by the {#1} package. + +name no_newton +description keyword that deactivates the Newton-Raphson formulation for the {#1} Package. + +name cellid +description is the cell identifier, and depends on the type of grid that is used for the simulation. For a structured grid that uses the DIS input file, CELLID is the layer, row, and column. For a grid that uses the DISV input file, CELLID is the layer and CELL2D number. If the model uses the unstructured discretization (DISU) input file, CELLID is the node number for the cell. + +name aux +description represents the values of the auxiliary variables for each {#1}. The values of auxiliary variables must be present for each {#1}. The values must be specified in the order of the auxiliary variables specified in the OPTIONS block. If the package supports time series and the Options block includes a TIMESERIESFILE entry (see the ``Time-Variable Input'' section), values can be obtained from a time series by entering the time-series name in place of a numeric value. + +name mover +description keyword to indicate that this instance of the {#1} Package can be used with the Water Mover (MVR) Package. When the MOVER option is specified, additional memory is allocated within the package to store the available, provided, and received water. + +name iper +description integer value specifying the starting stress period number for which the data specified in the PERIOD block apply. IPER must be less than or equal to NPER in the TDIS Package and greater than zero. The IPER value assigned to a stress period block must be greater than the IPER value assigned for the previous PERIOD block. The information specified in the PERIOD block will continue to apply for all subsequent stress periods, unless the program encounters another PERIOD block. diff --git a/dfn/gwf-chd.dfn b/dfn/gwf-chd.dfn new file mode 100644 index 00000000..56e3ca30 --- /dev/null +++ b/dfn/gwf-chd.dfn @@ -0,0 +1,222 @@ +# --------------------- gwf chd options --------------------- +# flopy multi-package +# package-type stress-package + +block options +name auxiliary +type string +shape (naux) +reader urword +optional true +longname keyword to specify aux variables +description REPLACE auxnames {'{#1}': 'Groundwater Flow'} + +block options +name auxmultname +type string +shape +reader urword +optional true +longname name of auxiliary variable for multiplier +description REPLACE auxmultname {'{#1}': 'CHD head value'} + +block options +name boundnames +type keyword +shape +reader urword +optional true +longname +description REPLACE boundnames {'{#1}': 'constant-head'} + +block options +name print_input +type keyword +reader urword +optional true +longname print input to listing file +description REPLACE print_input {'{#1}': 'constant-head'} +mf6internal iprpak + +block options +name print_flows +type keyword +reader urword +optional true +longname print CHD flows to listing file +description REPLACE print_flows {'{#1}': 'constant-head'} +mf6internal iprflow + +block options +name save_flows +type keyword +reader urword +optional true +longname save CHD flows to budget file +description REPLACE save_flows {'{#1}': 'constant-head'} +mf6internal ipakcb + +block options +name ts_filerecord +type record ts6 filein ts6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name ts6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname head keyword +description keyword to specify that record corresponds to a time-series file. + +block options +name filein +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name ts6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of time series information +description REPLACE timeseriesfile {} + +block options +name obs_filerecord +type record obs6 filein obs6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name obs6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname obs keyword +description keyword to specify that record corresponds to an observations file. + +block options +name obs6_filename +type string +preserve_case true +in_record true +tagged false +reader urword +optional false +longname obs6 input filename +description REPLACE obs6_filename {'{#1}': 'constant-head'} + +# dev options +block options +name dev_no_newton +type keyword +reader urword +optional true +longname turn off Newton for unconfined cells +description turn off Newton for unconfined cells +mf6internal inewton + +# --------------------- gwf chd dimensions --------------------- + +block dimensions +name maxbound +type integer +reader urword +optional false +longname maximum number of constant heads +description REPLACE maxbound {'{#1}': 'constant-head'} + + +# --------------------- gwf chd period --------------------- + +block period +name iper +type integer +block_variable True +in_record true +tagged false +shape +valid +reader urword +optional false +longname stress period number +description REPLACE iper {} + +block period +name stress_period_data +type recarray cellid head aux boundname +shape (maxbound) +reader urword +longname +description +mf6internal spd + +block period +name cellid +type integer +shape (ncelldim) +tagged false +in_record true +reader urword +longname cell identifier +description REPLACE cellid {} + +block period +name head +type double precision +shape +tagged false +in_record true +reader urword +time_series true +longname head value assigned to constant head +description is the head at the boundary. If the Options block includes a TIMESERIESFILE entry (see the ``Time-Variable Input'' section), values can be obtained from a time series by entering the time-series name in place of a numeric value. + +block period +name aux +type double precision +in_record true +tagged false +shape (naux) +reader urword +optional true +time_series true +longname auxiliary variables +description REPLACE aux {'{#1}': 'constant head'} +mf6internal auxvar + +block period +name boundname +type string +shape +tagged false +in_record true +reader urword +optional true +longname constant head boundary name +description REPLACE boundname {'{#1}': 'constant head boundary'} diff --git a/dfn/gwf-dis.dfn b/dfn/gwf-dis.dfn new file mode 100644 index 00000000..4393881b --- /dev/null +++ b/dfn/gwf-dis.dfn @@ -0,0 +1,228 @@ +# --------------------- gwf dis options --------------------- +# mf6 subpackage utl-ncf + +block options +name length_units +type string +reader urword +optional true +longname model length units +description is the length units used for this model. Values can be ``FEET'', ``METERS'', or ``CENTIMETERS''. If not specified, the default is ``UNKNOWN''. + +block options +name nogrb +type keyword +reader urword +optional true +longname do not write binary grid file +description keyword to deactivate writing of the binary grid file. + +block options +name grb_filerecord +type record grb6 fileout grb6_filename +reader urword +tagged true +optional true +longname +description + +block options +name grb6 +type keyword +in_record true +reader urword +tagged true +optional false +longname grb keyword +description keyword to specify that record corresponds to a binary grid file. +extended true + +block options +name fileout +type keyword +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an output filename is expected next. + +block options +name grb6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of GRB information +description defines a binary grid output file. If this option is not provided, the output file will have the same name as the discretization input file, plus extension ``.grb''. +extended true + +block options +name xorigin +type double precision +reader urword +optional true +longname x-position of the model grid origin +description x-position of the lower-left corner of the model grid. A default value of zero is assigned if not specified. The value for XORIGIN does not affect the model simulation, but it is written to the binary grid file so that postprocessors can locate the grid in space. + +block options +name yorigin +type double precision +reader urword +optional true +longname y-position of the model grid origin +description y-position of the lower-left corner of the model grid. If not specified, then a default value equal to zero is used. The value for YORIGIN does not affect the model simulation, but it is written to the binary grid file so that postprocessors can locate the grid in space. + +block options +name angrot +type double precision +reader urword +optional true +longname rotation angle +description counter-clockwise rotation angle (in degrees) of the lower-left corner of the model grid. If not specified, then a default value of 0.0 is assigned. The value for ANGROT does not affect the model simulation, but it is written to the binary grid file so that postprocessors can locate the grid in space. + +block options +name export_array_ascii +type keyword +reader urword +optional true +mf6internal export_ascii +longname export array variables to layered ascii files. +description keyword that specifies input griddata arrays should be written to layered ascii output files. + +block options +name export_array_netcdf +type keyword +reader urword +optional true +mf6internal export_nc +longname export array variables to netcdf output files. +description keyword that specifies input griddata arrays should be written to the model output netcdf file. +extended true + +block options +name ncf_filerecord +type record ncf6 filein ncf6_filename +reader urword +tagged true +optional true +longname +description + +block options +name ncf6 +type keyword +in_record true +reader urword +tagged true +optional false +longname ncf keyword +description keyword to specify that record corresponds to a netcdf configuration (NCF) file. +extended true + +block options +name filein +type keyword +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name ncf6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of NCF information +description defines a netcdf configuration (NCF) input file. +extended true + +# --------------------- gwf dis dimensions --------------------- + +block dimensions +name nlay +type integer +reader urword +optional false +longname number of layers +description is the number of layers in the model grid. +default_value 1 + +block dimensions +name nrow +type integer +reader urword +optional false +longname number of rows +description is the number of rows in the model grid. +default_value 2 + +block dimensions +name ncol +type integer +reader urword +optional false +longname number of columns +description is the number of columns in the model grid. +default_value 2 + +# --------------------- gwf dis griddata --------------------- + +block griddata +name delr +type double precision +shape (ncol) +reader readarray +netcdf true +longname spacing along a row +description is the column spacing in the row direction. +default_value 1.0 + +block griddata +name delc +type double precision +shape (nrow) +reader readarray +netcdf true +longname spacing along a column +description is the row spacing in the column direction. +default_value 1.0 + +block griddata +name top +type double precision +shape (ncol, nrow) +reader readarray +netcdf true +longname cell top elevation +description is the top elevation for each cell in the top model layer. +default_value 1.0 + +block griddata +name botm +type double precision +shape (ncol, nrow, nlay) +reader readarray +layered true +netcdf true +longname cell bottom elevation +description is the bottom elevation for each cell. +default_value 0. + +block griddata +name idomain +type integer +shape (ncol, nrow, nlay) +reader readarray +layered true +netcdf true +optional true +longname idomain existence array +description is an optional array that characterizes the existence status of a cell. If the IDOMAIN array is not specified, then all model cells exist within the solution. If the IDOMAIN value for a cell is 0, the cell does not exist in the simulation. Input and output values will be read and written for the cell, but internal to the program, the cell is excluded from the solution. If the IDOMAIN value for a cell is 1 or greater, the cell exists in the simulation. If the IDOMAIN value for a cell is -1, the cell does not exist in the simulation. Furthermore, the first existing cell above will be connected to the first existing cell below. This type of cell is referred to as a ``vertical pass through'' cell. diff --git a/dfn/gwf-drn.dfn b/dfn/gwf-drn.dfn new file mode 100644 index 00000000..e88cc6f4 --- /dev/null +++ b/dfn/gwf-drn.dfn @@ -0,0 +1,251 @@ +# --------------------- gwf drn options --------------------- +# flopy multi-package +# package-type stress-package + +block options +name auxiliary +type string +shape (naux) +reader urword +optional true +longname keyword to specify aux variables +description REPLACE auxnames {'{#1}': 'Groundwater Flow'} + +block options +name auxmultname +type string +shape +reader urword +optional true +longname name of auxiliary variable for multiplier +description REPLACE auxmultname {'{#1}': 'drain conductance'} + +block options +name auxdepthname +type string +shape +reader urword +optional true +longname name of auxiliary variable for drainage depth +description name of a variable listed in AUXILIARY that defines the depth at which drainage discharge will be scaled. If a positive value is specified for the AUXDEPTHNAME AUXILIARY variable, then ELEV is the elevation at which the drain starts to discharge and ELEV + DDRN (assuming DDRN is the AUXDEPTHNAME variable) is the elevation when the drain conductance (COND) scaling factor is 1. If a negative drainage depth value is specified for DDRN, then ELEV + DDRN is the elevation at which the drain starts to discharge and ELEV is the elevation when the conductance (COND) scaling factor is 1. A linear- or cubic-scaling is used to scale the drain conductance (COND) when the Standard or Newton-Raphson Formulation is used, respectively. This discharge scaling option is described in more detail in Chapter 3 of the Supplemental Technical Information. + +block options +name boundnames +type keyword +shape +reader urword +optional true +longname +description REPLACE boundnames {'{#1}': 'drain'} + +block options +name print_input +type keyword +reader urword +optional true +longname print input to listing file +description REPLACE print_input {'{#1}': 'drain'} +mf6internal iprpak + +block options +name print_flows +type keyword +reader urword +optional true +longname print calculated flows to listing file +description REPLACE print_flows {'{#1}': 'drain'} +mf6internal iprflow + +block options +name save_flows +type keyword +reader urword +optional true +longname save CHD flows to budget file +description REPLACE save_flows {'{#1}': 'drain'} +mf6internal ipakcb + +block options +name ts_filerecord +type record ts6 filein ts6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name ts6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname head keyword +description keyword to specify that record corresponds to a time-series file. + +block options +name filein +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name ts6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of time series information +description REPLACE timeseriesfile {} + +block options +name obs_filerecord +type record obs6 filein obs6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name obs6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname obs keyword +description keyword to specify that record corresponds to an observations file. + +block options +name obs6_filename +type string +preserve_case true +in_record true +tagged false +reader urword +optional false +longname obs6 input filename +description REPLACE obs6_filename {'{#1}': 'Drain'} + +block options +name mover +type keyword +tagged true +reader urword +optional true +longname +description REPLACE mover {'{#1}': 'Drain'} + +# dev options +block options +name dev_cubic_scaling +type keyword +reader urword +optional true +longname cubic-scaling +description cubic-scaling is used to scale the drain conductance +mf6internal icubicsfac + +# --------------------- gwf drn dimensions --------------------- + +block dimensions +name maxbound +type integer +reader urword +optional false +longname maximum number of drains +description REPLACE maxbound {'{#1}': 'drains'} + + +# --------------------- gwf drn period --------------------- + +block period +name iper +type integer +block_variable True +in_record true +tagged false +shape +valid +reader urword +optional false +longname stress period number +description REPLACE iper {} + +block period +name stress_period_data +type recarray cellid elev cond aux boundname +shape (maxbound) +reader urword +longname +description +mf6internal spd + +block period +name cellid +type integer +shape (ncelldim) +tagged false +in_record true +reader urword +longname cell identifier +description REPLACE cellid {} + +block period +name elev +type double precision +shape +tagged false +in_record true +reader urword +time_series true +longname drain elevation +description is the elevation of the drain. If the Options block includes a TIMESERIESFILE entry (see the ``Time-Variable Input'' section), values can be obtained from a time series by entering the time-series name in place of a numeric value. + +block period +name cond +type double precision +shape +tagged false +in_record true +reader urword +time_series true +longname drain conductance +description is the hydraulic conductance of the interface between the aquifer and the drain. If the Options block includes a TIMESERIESFILE entry (see the ``Time-Variable Input'' section), values can be obtained from a time series by entering the time-series name in place of a numeric value. + +block period +name aux +type double precision +in_record true +tagged false +shape (naux) +reader urword +optional true +time_series true +longname auxiliary variables +description REPLACE aux {'{#1}': 'drain'} +mf6internal auxvar + +block period +name boundname +type string +shape +tagged false +in_record true +reader urword +optional true +longname drain name +description REPLACE boundname {'{#1}': 'drain'} diff --git a/dfn/gwf-ic.dfn b/dfn/gwf-ic.dfn new file mode 100644 index 00000000..1ad27b4e --- /dev/null +++ b/dfn/gwf-ic.dfn @@ -0,0 +1,33 @@ +# --------------------- gwf ic options --------------------- + +block options +name export_array_ascii +type keyword +reader urword +optional true +mf6internal export_ascii +longname export array variables to layered ascii files. +description keyword that specifies input griddata arrays should be written to layered ascii output files. + +block options +name export_array_netcdf +type keyword +reader urword +optional true +mf6internal export_nc +longname export array variables to netcdf output files. +description keyword that specifies input griddata arrays should be written to the model output netcdf file. +extended true + +# --------------------- gwf ic griddata --------------------- + +block griddata +name strt +type double precision +shape (nodes) +reader readarray +layered true +netcdf true +longname starting head +description is the initial (starting) head---that is, head at the beginning of the GWF Model simulation. STRT must be specified for all simulations, including steady-state simulations. One value is read for every model cell. For simulations in which the first stress period is steady state, the values used for STRT generally do not affect the simulation (exceptions may occur if cells go dry and (or) rewet). The execution time, however, will be less if STRT includes hydraulic heads that are close to the steady-state solution. A head value lower than the cell bottom can be provided if a cell should start as dry. +default_value 1.0 diff --git a/dfn/gwf-nam.dfn b/dfn/gwf-nam.dfn new file mode 100644 index 00000000..dbe2a5b0 --- /dev/null +++ b/dfn/gwf-nam.dfn @@ -0,0 +1,226 @@ +# --------------------- gwf nam options --------------------- + +block options +name list +type string +reader urword +optional true +preserve_case true +longname name of listing file +description is name of the listing file to create for this GWF model. If not specified, then the name of the list file will be the basename of the GWF model name file and the '.lst' extension. For example, if the GWF name file is called ``my.model.nam'' then the list file will be called ``my.model.lst''. + +block options +name print_input +type keyword +reader urword +optional true +longname print input to listing file +description REPLACE print_input {'{#1}': 'all model stress package'} + +block options +name print_flows +type keyword +reader urword +optional true +longname print calculated flows to listing file +description REPLACE print_flows {'{#1}': 'all model package'} + +block options +name save_flows +type keyword +reader urword +optional true +longname save flows for all packages to budget file +description REPLACE save_flows {'{#1}': 'all model package'} + +block options +name newtonoptions +type record newton under_relaxation +reader urword +optional true +longname newton keyword and options +description none + +block options +name newton +in_record true +type keyword +reader urword +longname keyword to activate Newton-Raphson formulation +description keyword that activates the Newton-Raphson formulation for groundwater flow between connected, convertible groundwater cells and stress packages that support calculation of Newton-Raphson terms for groundwater exchanges. Cells will not dry when this option is used. By default, the Newton-Raphson formulation is not applied. + +block options +name under_relaxation +in_record true +type keyword +reader urword +optional true +longname keyword to activate Newton-Raphson UNDER_RELAXATION option +description keyword that indicates whether the groundwater head in a cell will be under-relaxed when water levels fall below the bottom of the model below any given cell. By default, Newton-Raphson UNDER\_RELAXATION is not applied. + +block options +name nc_mesh2d_filerecord +type record netcdf_mesh2d fileout ncmesh2dfile +shape +reader urword +tagged true +optional true +longname +description netcdf layered mesh fileout record. +mf6internal ncmesh2drec + +block options +name netcdf_mesh2d +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname budget keyword +description keyword to specify that record corresponds to a layered mesh netcdf file. +extended true + +block options +name nc_structured_filerecord +type record netcdf_structured fileout ncstructfile +shape +reader urword +tagged true +optional true +longname +description netcdf structured fileout record. +mf6internal ncstructrec + +block options +name netcdf_structured +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname budget keyword +description keyword to specify that record corresponds to a structured netcdf file. +mf6internal netcdf_struct +extended true + +block options +name fileout +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an output filename is expected next. + +block options +name ncmesh2dfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +longname file keyword +description name of the netcdf ugrid layered mesh output file. +extended true + +block options +name ncstructfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +longname file keyword +description name of the netcdf structured output file. +extended true + +block options +name nc_filerecord +type record netcdf filein netcdf_filename +reader urword +tagged true +optional true +longname +description netcdf filerecord + +block options +name netcdf +type keyword +in_record true +reader urword +tagged true +optional false +longname netcdf keyword +description keyword to specify that record corresponds to a netcdf input file. +extended true + +block options +name filein +type keyword +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name netcdf_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname netcdf input filename +description defines a netcdf input file. +mf6internal netcdf_fname +extended true + +# --------------------- gwf nam packages --------------------- + +block packages +name packages +type recarray ftype fname pname +reader urword +optional false +longname package list +description + +block packages +name ftype +in_record true +type string +tagged false +reader urword +longname package type +description is the file type, which must be one of the following character values shown in table~\ref{table:ftype-gwf}. Ftype may be entered in any combination of uppercase and lowercase. + +block packages +name fname +in_record true +type string +preserve_case true +tagged false +reader urword +longname file name +description is the name of the file containing the package input. The path to the file should be included if the file is not located in the folder where the program was run. + +block packages +name pname +in_record true +type string +tagged false +reader urword +optional true +longname user name for package +description is the user-defined name for the package. PNAME is restricted to 16 characters. No spaces are allowed in PNAME. PNAME character values are read and stored by the program for stress packages only. These names may be useful for labeling purposes when multiple stress packages of the same type are located within a single GWF Model. If PNAME is specified for a stress package, then PNAME will be used in the flow budget table in the listing file; it will also be used for the text entry in the cell-by-cell budget file. PNAME is case insensitive and is stored in all upper case letters. + diff --git a/dfn/gwf-npf.dfn b/dfn/gwf-npf.dfn new file mode 100644 index 00000000..812fb6f3 --- /dev/null +++ b/dfn/gwf-npf.dfn @@ -0,0 +1,364 @@ +# --------------------- gwf npf options --------------------- + +block options +name save_flows +type keyword +reader urword +optional true +longname keyword to save NPF flows +description keyword to indicate that budget flow terms will be written to the file specified with ``BUDGET SAVE FILE'' in Output Control. +mf6internal ipakcb + +block options +name print_flows +type keyword +reader urword +optional true +longname keyword to print NPF flows to listing file +description keyword to indicate that calculated flows between cells will be printed to the listing file for every stress period time step in which ``BUDGET PRINT'' is specified in Output Control. If there is no Output Control option and ``PRINT\_FLOWS'' is specified, then flow rates are printed for the last time step of each stress period. This option can produce extremely large list files because all cell-by-cell flows are printed. It should only be used with the NPF Package for models that have a small number of cells. +mf6internal iprflow + +block options +name alternative_cell_averaging +type string +valid logarithmic amt-lmk amt-hmk +reader urword +optional true +longname conductance weighting option +description is a text keyword to indicate that an alternative method will be used for calculating the conductance for horizontal cell connections. The text value for ALTERNATIVE\_CELL\_AVERAGING can be ``LOGARITHMIC'', ``AMT-LMK'', or ``AMT-HMK''. ``AMT-LMK'' signifies that the conductance will be calculated using arithmetic-mean thickness and logarithmic-mean hydraulic conductivity. ``AMT-HMK'' signifies that the conductance will be calculated using arithmetic-mean thickness and harmonic-mean hydraulic conductivity. If the user does not specify a value for ALTERNATIVE\_CELL\_AVERAGING, then the harmonic-mean method will be used. This option cannot be used if the XT3D option is invoked. +mf6internal cellavg + +block options +name thickstrt +type keyword +reader urword +optional true +longname keyword to activate THICKSTRT option +description indicates that cells having a negative ICELLTYPE are confined, and their cell thickness for conductance calculations will be computed as STRT-BOT rather than TOP-BOT. This option should be used with caution as it only affects conductance calculations in the NPF Package. +mf6internal ithickstrt + +block options +name cvoptions +type record variablecv dewatered +reader urword +optional true +longname vertical conductance options +description none + +block options +name variablecv +in_record true +type keyword +reader urword +longname keyword to activate VARIABLECV option +description keyword to indicate that the vertical conductance will be calculated using the saturated thickness and properties of the overlying cell and the thickness and properties of the underlying cell. If the DEWATERED keyword is also specified, then the vertical conductance is calculated using only the saturated thickness and properties of the overlying cell if the head in the underlying cell is below its top. If these keywords are not specified, then the default condition is to calculate the vertical conductance at the start of the simulation using the initial head and the cell properties. The vertical conductance remains constant for the entire simulation. +mf6internal ivarcv + +block options +name dewatered +in_record true +type keyword +reader urword +optional true +longname keyword to activate DEWATERED option +description If the DEWATERED keyword is specified, then the vertical conductance is calculated using only the saturated thickness and properties of the overlying cell if the head in the underlying cell is below its top. +mf6internal idewatcv + +block options +name perched +type keyword +reader urword +optional true +longname keyword to activate PERCHED option +description keyword to indicate that when a cell is overlying a dewatered convertible cell, the head difference used in Darcy's Law is equal to the head in the overlying cell minus the bottom elevation of the overlying cell. If not specified, then the default is to use the head difference between the two cells. +mf6internal iperched + +block options +name rewet_record +type record rewet wetfct iwetit ihdwet +reader urword +optional true +longname +description + +block options +name rewet +type keyword +in_record true +reader urword +optional false +longname keyword to activate rewetting +description activates model rewetting. Rewetting is off by default. +mf6internal irewet + +block options +name wetfct +type double precision +in_record true +reader urword +optional false +longname wetting factor to use for rewetting +description is a keyword and factor that is included in the calculation of the head that is initially established at a cell when that cell is converted from dry to wet. + +block options +name iwetit +type integer +in_record true +reader urword +optional false +longname interval to use for rewetting +description is a keyword and iteration interval for attempting to wet cells. Wetting is attempted every IWETIT iteration. This applies to outer iterations and not inner iterations. If IWETIT is specified as zero or less, then the value is changed to 1. + +block options +name ihdwet +type integer +in_record true +reader urword +optional false +longname flag to determine wetting equation +description is a keyword and integer flag that determines which equation is used to define the initial head at cells that become wet. If IHDWET is 0, h = BOT + WETFCT (hm - BOT). If IHDWET is not 0, h = BOT + WETFCT (THRESH). + +block options +name xt3doptions +type record xt3d rhs +reader urword +optional true +longname keyword to activate XT3D +description none + +block options +name xt3d +in_record true +type keyword +reader urword +longname keyword to activate XT3D +description keyword indicating that the XT3D formulation will be used. If the RHS keyword is also included, then the XT3D additional terms will be added to the right-hand side. If the RHS keyword is excluded, then the XT3D terms will be put into the coefficient matrix. Use of XT3D will substantially increase the computational effort, but will result in improved accuracy for anisotropic conductivity fields and for unstructured grids in which the CVFD requirement is violated. XT3D requires additional information about the shapes of grid cells. If XT3D is active and the DISU Package is used, then the user will need to provide in the DISU Package the angldegx array in the CONNECTIONDATA block and the VERTICES and CELL2D blocks. +mf6internal ixt3d + +block options +name rhs +in_record true +type keyword +reader urword +optional true +longname keyword to XT3D on right hand side +description If the RHS keyword is also included, then the XT3D additional terms will be added to the right-hand side. If the RHS keyword is excluded, then the XT3D terms will be put into the coefficient matrix. +mf6internal ixt3drhs + +block options +name save_specific_discharge +type keyword +reader urword +optional true +longname keyword to save specific discharge +description keyword to indicate that x, y, and z components of specific discharge will be calculated at cell centers and written to the budget file, which is specified with ``BUDGET SAVE FILE'' in Output Control. If this option is activated, then additional information may be required in the discretization packages and the GWF Exchange package (if GWF models are coupled). Specifically, ANGLDEGX must be specified in the CONNECTIONDATA block of the DISU Package; ANGLDEGX must also be specified for the GWF Exchange as an auxiliary variable. +mf6internal isavspdis + +block options +name save_saturation +type keyword +reader urword +optional true +longname keyword to save saturation +description keyword to indicate that cell saturation will be written to the budget file, which is specified with ``BUDGET SAVE FILE'' in Output Control. Saturation will be saved to the budget file as an auxiliary variable saved with the DATA-SAT text label. Saturation is a cell variable that ranges from zero to one and can be used by post processing programs to determine how much of a cell volume is saturated. If ICELLTYPE is 0, then saturation is always one. +mf6internal isavsat + +block options +name k22overk +type keyword +reader urword +optional true +longname keyword to indicate that specified K22 is a ratio +description keyword to indicate that specified K22 is a ratio of K22 divided by K. If this option is specified, then the K22 array entered in the NPF Package will be multiplied by K after being read. +mf6internal ik22overk + +block options +name k33overk +type keyword +reader urword +optional true +longname keyword to indicate that specified K33 is a ratio +description keyword to indicate that specified K33 is a ratio of K33 divided by K. If this option is specified, then the K33 array entered in the NPF Package will be multiplied by K after being read. +mf6internal ik33overk + +block options +name tvk_filerecord +type record tvk6 filein tvk6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name tvk6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname tvk keyword +description keyword to specify that record corresponds to a time-varying hydraulic conductivity (TVK) file. The behavior of TVK and a description of the input file is provided separately. + +block options +name filein +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name tvk6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of TVK information +description defines a time-varying hydraulic conductivity (TVK) input file. Records in the TVK file can be used to change hydraulic conductivity properties at specified times or stress periods. + +block options +name export_array_ascii +type keyword +reader urword +optional true +mf6internal export_ascii +longname export array variables to layered ascii files. +description keyword that specifies input griddata arrays should be written to layered ascii output files. + +block options +name export_array_netcdf +type keyword +reader urword +optional true +mf6internal export_nc +longname export array variables to netcdf output files. +description keyword that specifies input griddata arrays should be written to the model output netcdf file. +extended true + +# dev options + +block options +name dev_no_newton +type keyword +reader urword +optional true +longname turn off Newton for unconfined cells +description turn off Newton for unconfined cells +mf6internal inewton + +block options +name dev_omega +type double precision +reader urword +optional true +longname set saturation omega value +description set saturation omega value +mf6internal satomega + +# --------------------- gwf npf griddata --------------------- + +block griddata +name icelltype +type integer +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional +longname confined or convertible indicator +description flag for each cell that specifies how saturated thickness is treated. 0 means saturated thickness is held constant; $>$0 means saturated thickness varies with computed head when head is below the cell top; $<$0 means saturated thickness varies with computed head unless the THICKSTRT option is in effect. When THICKSTRT is in effect, a negative value for ICELLTYPE indicates that the saturated thickness value used in conductance calculations in the NPF Package will be computed as STRT-BOT and held constant. If the THICKSTRT option is not in effect, then negative values provided by the user for ICELLTYPE are automatically reassigned by the program to a value of one. +default_value 0 + +block griddata +name k +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional +longname hydraulic conductivity (L/T) +description is the hydraulic conductivity. For the common case in which the user would like to specify the horizontal hydraulic conductivity and the vertical hydraulic conductivity, then K should be assigned as the horizontal hydraulic conductivity, K33 should be assigned as the vertical hydraulic conductivity, and K22 and the three rotation angles should not be specified. When more sophisticated anisotropy is required, then K corresponds to the K11 hydraulic conductivity axis. All included cells (IDOMAIN $>$ 0) must have a K value greater than zero. +default_value 1.0 + +block griddata +name k22 +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional true +longname hydraulic conductivity of second ellipsoid axis +description is the hydraulic conductivity of the second ellipsoid axis (or the ratio of K22/K if the K22OVERK option is specified); for an unrotated case this is the hydraulic conductivity in the y direction. If K22 is not included in the GRIDDATA block, then K22 is set equal to K. For a regular MODFLOW grid (DIS Package is used) in which no rotation angles are specified, K22 is the hydraulic conductivity along columns in the y direction. For an unstructured DISU grid, the user must assign principal x and y axes and provide the angle for each cell face relative to the assigned x direction. All included cells (IDOMAIN $>$ 0) must have a K22 value greater than zero. + +block griddata +name k33 +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional true +longname hydraulic conductivity of third ellipsoid axis (L/T) +description is the hydraulic conductivity of the third ellipsoid axis (or the ratio of K33/K if the K33OVERK option is specified); for an unrotated case, this is the vertical hydraulic conductivity. When anisotropy is applied, K33 corresponds to the K33 tensor component. All included cells (IDOMAIN $>$ 0) must have a K33 value greater than zero. + +block griddata +name angle1 +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional true +longname first anisotropy rotation angle (degrees) +description is a rotation angle of the hydraulic conductivity tensor in degrees. The angle represents the first of three sequential rotations of the hydraulic conductivity ellipsoid. With the K11, K22, and K33 axes of the ellipsoid initially aligned with the x, y, and z coordinate axes, respectively, ANGLE1 rotates the ellipsoid about its K33 axis (within the x - y plane). A positive value represents counter-clockwise rotation when viewed from any point on the positive K33 axis, looking toward the center of the ellipsoid. A value of zero indicates that the K11 axis lies within the x - z plane. If ANGLE1 is not specified, default values of zero are assigned to ANGLE1, ANGLE2, and ANGLE3, in which case the K11, K22, and K33 axes are aligned with the x, y, and z axes, respectively. + +block griddata +name angle2 +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional true +longname second anisotropy rotation angle (degrees) +description is a rotation angle of the hydraulic conductivity tensor in degrees. The angle represents the second of three sequential rotations of the hydraulic conductivity ellipsoid. Following the rotation by ANGLE1 described above, ANGLE2 rotates the ellipsoid about its K22 axis (out of the x - y plane). An array can be specified for ANGLE2 only if ANGLE1 is also specified. A positive value of ANGLE2 represents clockwise rotation when viewed from any point on the positive K22 axis, looking toward the center of the ellipsoid. A value of zero indicates that the K11 axis lies within the x - y plane. If ANGLE2 is not specified, default values of zero are assigned to ANGLE2 and ANGLE3; connections that are not user-designated as vertical are assumed to be strictly horizontal (that is, to have no z component to their orientation); and connection lengths are based on horizontal distances. + +block griddata +name angle3 +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional true +longname third anisotropy rotation angle (degrees) +description is a rotation angle of the hydraulic conductivity tensor in degrees. The angle represents the third of three sequential rotations of the hydraulic conductivity ellipsoid. Following the rotations by ANGLE1 and ANGLE2 described above, ANGLE3 rotates the ellipsoid about its K11 axis. An array can be specified for ANGLE3 only if ANGLE1 and ANGLE2 are also specified. An array must be specified for ANGLE3 if ANGLE2 is specified. A positive value of ANGLE3 represents clockwise rotation when viewed from any point on the positive K11 axis, looking toward the center of the ellipsoid. A value of zero indicates that the K22 axis lies within the x - y plane. + +block griddata +name wetdry +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional true +longname wetdry threshold and factor +description is a combination of the wetting threshold and a flag to indicate which neighboring cells can cause a cell to become wet. If WETDRY $<$ 0, only a cell below a dry cell can cause the cell to become wet. If WETDRY $>$ 0, the cell below a dry cell and horizontally adjacent cells can cause a cell to become wet. If WETDRY is 0, the cell cannot be wetted. The absolute value of WETDRY is the wetting threshold. When the sum of BOT and the absolute value of WETDRY at a dry cell is equaled or exceeded by the head at an adjacent cell, the cell is wetted. WETDRY must be specified if ``REWET'' is specified in the OPTIONS block. If ``REWET'' is not specified in the options block, then WETDRY can be entered, and memory will be allocated for it, even though it is not used. diff --git a/dfn/gwf-oc.dfn b/dfn/gwf-oc.dfn new file mode 100644 index 00000000..29b6ae10 --- /dev/null +++ b/dfn/gwf-oc.dfn @@ -0,0 +1,313 @@ +# --------------------- gwf oc options --------------------- + +block options +name budget_filerecord +type record budget fileout budgetfile +shape +reader urword +tagged true +optional true +longname +description + +block options +name budget +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname budget keyword +description keyword to specify that record corresponds to the budget. + +block options +name fileout +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an output filename is expected next. + +block options +name budgetfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +longname file keyword +description name of the output file to write budget information. + +block options +name budgetcsv_filerecord +type record budgetcsv fileout budgetcsvfile +shape +reader urword +tagged true +optional true +longname +description + +block options +name budgetcsv +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname budget keyword +description keyword to specify that record corresponds to the budget CSV. + +block options +name budgetcsvfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +longname file keyword +description name of the comma-separated value (CSV) output file to write budget summary information. A budget summary record will be written to this file for each time step of the simulation. + +block options +name head_filerecord +type record head fileout headfile +shape +reader urword +tagged true +optional true +longname +description + +block options +name head +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname head keyword +description keyword to specify that record corresponds to head. + +block options +name headfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +longname file keyword +description name of the output file to write head information. + +block options +name headprintrecord +type record head print_format formatrecord +shape +reader urword +optional true +longname +description + +block options +name print_format +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname keyword to indicate that a print format follows +description keyword to specify format for printing to the listing file. + +block options +name formatrecord +type record columns width digits format +shape +in_record true +reader urword +tagged +optional false +longname +description + +block options +name columns +type integer +shape +in_record true +reader urword +tagged true +optional +longname number of columns +description number of columns for writing data. + +block options +name width +type integer +shape +in_record true +reader urword +tagged true +optional +longname width for each number +description width for writing each number. + +block options +name digits +type integer +shape +in_record true +reader urword +tagged true +optional +longname number of digits +description number of digits to use for writing a number. + +block options +name format +type string +shape +in_record true +reader urword +tagged false +optional false +longname write format +description write format can be EXPONENTIAL, FIXED, GENERAL, or SCIENTIFIC. + + +# --------------------- gwf oc period --------------------- + +block period +name iper +type integer +block_variable True +in_record true +tagged false +shape +valid +reader urword +optional false +longname stress period number +description REPLACE iper {} + +block period +name saverecord +type record save rtype ocsetting +shape +reader urword +tagged false +optional true +longname +description + +block period +name save +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname keyword to save +description keyword to indicate that information will be saved this stress period. + +block period +name printrecord +type record print rtype ocsetting +shape +reader urword +tagged false +optional true +longname +description + +block period +name print +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname keyword to save +description keyword to indicate that information will be printed this stress period. + +block period +name rtype +type string +shape +in_record true +reader urword +tagged false +optional false +longname record type +description type of information to save or print. Can be BUDGET or HEAD. + +block period +name ocsetting +type keystring all first last frequency steps +shape +tagged false +in_record true +reader urword +longname +description specifies the steps for which the data will be saved. + +block period +name all +type keyword +shape +in_record true +reader urword +longname +description keyword to indicate save for all time steps in period. + +block period +name first +type keyword +shape +in_record true +reader urword +longname +description keyword to indicate save for first step in period. This keyword may be used in conjunction with other keywords to print or save results for multiple time steps. + +block period +name last +type keyword +shape +in_record true +reader urword +longname +description keyword to indicate save for last step in period. This keyword may be used in conjunction with other keywords to print or save results for multiple time steps. + +block period +name frequency +type integer +shape +tagged true +in_record true +reader urword +longname +description save at the specified time step frequency. This keyword may be used in conjunction with other keywords to print or save results for multiple time steps. + +block period +name steps +type integer +shape (0) when the cell is under confined conditions (head greater than or equal to the top of the cell). This option has no effect on cells that are marked as being always confined (ICONVERT=0). This option is identical to the approach used to calculate storage changes under confined conditions in MODFLOW-2005. + +block options +name tvs_filerecord +type record tvs6 filein tvs6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name tvs6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname tvs keyword +description keyword to specify that record corresponds to a time-varying storage (TVS) file. The behavior of TVS and a description of the input file is provided separately. + +block options +name filein +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name tvs6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of TVS information +description defines a time-varying storage (TVS) input file. Records in the TVS file can be used to change specific storage and specific yield properties at specified times or stress periods. + +block options +name export_array_ascii +type keyword +reader urword +optional true +mf6internal export_ascii +longname export array variables to layered ascii files. +description keyword that specifies input grid arrays, which already support the layered keyword, should be written to layered ascii output files. + +block options +name export_array_netcdf +type keyword +reader urword +optional true +mf6internal export_nc +longname export array variables to netcdf output files. +description keyword that specifies input griddata arrays should be written to the model output netcdf file. +extended true + +# dev options +block options +name dev_original_specific_storage +type keyword +reader urword +optional true +longname development option for original specific storage +description flag indicating the original storage specific storage formulation should be used +mf6internal iorig_ss + +block options +name dev_oldstorageformulation +type keyword +reader urword +optional true +longname development option flag for old storage formulation +description development option flag for old storage formulation +mf6internal iconf_ss + +# --------------------- gwf sto griddata --------------------- + +block griddata +name iconvert +type integer +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional false +longname convertible indicator +description is a flag for each cell that specifies whether or not a cell is convertible for the storage calculation. 0 indicates confined storage is used. $>$0 indicates confined storage is used when head is above cell top and a mixed formulation of unconfined and confined storage is used when head is below cell top. +default_value 0 + +block griddata +name ss +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional false +longname specific storage +description is specific storage (or the storage coefficient if STORAGECOEFFICIENT is specified as an option). Specific storage values must be greater than or equal to 0. If the CSUB Package is included in the GWF model, specific storage must be zero for every cell. +default_value 1.e-5 + +block griddata +name sy +type double precision +shape (nodes) +valid +reader readarray +layered true +netcdf true +optional false +longname specific yield +description is specific yield. Specific yield values must be greater than or equal to 0. Specific yield does not have to be specified if there are no convertible cells (ICONVERT=0 in every cell). +default_value 0.15 + + +# --------------------- gwf sto period --------------------- + +block period +name iper +type integer +block_variable True +in_record true +tagged false +shape +valid +reader urword +optional false +longname stress period number +description REPLACE iper {} + +block period +name steady-state +type keyword +shape +valid +reader urword +optional true +longname steady state indicator +description keyword to indicate that stress period IPER is steady-state. Steady-state conditions will apply until the TRANSIENT keyword is specified in a subsequent BEGIN PERIOD block. If the CSUB Package is included in the GWF model, only the first and last stress period can be steady-state. +mf6internal steady_state + +block period +name transient +type keyword +shape +valid +reader urword +optional true +longname transient indicator +description keyword to indicate that stress period IPER is transient. Transient conditions will apply until the STEADY-STATE keyword is specified in a subsequent BEGIN PERIOD block. diff --git a/dfn/gwf-wel.dfn b/dfn/gwf-wel.dfn new file mode 100644 index 00000000..5b9e8287 --- /dev/null +++ b/dfn/gwf-wel.dfn @@ -0,0 +1,276 @@ +# --------------------- gwf wel options --------------------- +# flopy multi-package +# package-type stress-package + +block options +name auxiliary +type string +shape (naux) +reader urword +optional true +longname keyword to specify aux variables +description REPLACE auxnames {'{#1}': 'Groundwater Flow'} + +block options +name auxmultname +type string +shape +reader urword +optional true +longname name of auxiliary variable for multiplier +description REPLACE auxmultname {'{#1}': 'well flow rate'} + +block options +name boundnames +type keyword +shape +reader urword +optional true +longname +description REPLACE boundnames {'{#1}': 'well'} + +block options +name print_input +type keyword +reader urword +optional true +longname print input to listing file +description REPLACE print_input {'{#1}': 'well'} +mf6internal iprpak + +block options +name print_flows +type keyword +reader urword +optional true +longname print calculated flows to listing file +description REPLACE print_flows {'{#1}': 'well'} +mf6internal iprflow + +block options +name save_flows +type keyword +reader urword +optional true +longname save well flows to budget file +description REPLACE save_flows {'{#1}': 'well'} +mf6internal ipakcb + +block options +name auto_flow_reduce +type double precision +reader urword +optional true +longname cell fractional thickness for reduced pumping +description keyword and real value that defines the fraction of the cell thickness used as an interval for smoothly adjusting negative pumping rates to 0 in cells with head values less than or equal to the bottom of the cell. Negative pumping rates are adjusted to 0 or a smaller negative value when the head in the cell is equal to or less than the calculated interval above the cell bottom. AUTO\_FLOW\_REDUCE is set to 0.1 if the specified value is less than or equal to zero. By default, negative pumping rates are not reduced during a simulation. This AUTO\_FLOW\_REDUCE option only applies to wells in model cells that are marked as ``convertible'' (ICELLTYPE /= 0) in the Node Property Flow (NPF) input file. Reduction in flow will not occur for wells in cells marked as confined (ICELLTYPE = 0). +mf6internal flowred + +block options +name afrcsv_filerecord +type record auto_flow_reduce_csv fileout afrcsvfile +shape +reader urword +tagged true +optional true +longname +description +mf6internal afrcsv_rec + +block options +name auto_flow_reduce_csv +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname budget keyword +description keyword to specify that record corresponds to the AUTO\_FLOW\_REDUCE output option in which a new record is written for each well and for each time step in which the user-requested extraction rate is reduced by the program. +mf6internal afrcsv + +block options +name fileout +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an output filename is expected next. + +block options +name afrcsvfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +longname file keyword +description name of the comma-separated value (CSV) output file to write information about well extraction rates that have been reduced by the program. Entries are only written if the extraction rates are reduced. + +block options +name ts_filerecord +type record ts6 filein ts6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name ts6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname head keyword +description keyword to specify that record corresponds to a time-series file. + +block options +name filein +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name ts6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of time series information +description REPLACE timeseriesfile {} + +block options +name obs_filerecord +type record obs6 filein obs6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name obs6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname obs keyword +description keyword to specify that record corresponds to an observations file. + +block options +name obs6_filename +type string +preserve_case true +in_record true +tagged false +reader urword +optional false +longname obs6 input filename +description REPLACE obs6_filename {'{#1}': 'Well'} + +block options +name mover +type keyword +tagged true +reader urword +optional true +longname +description REPLACE mover {'{#1}': 'Well'} + +# --------------------- gwf wel dimensions --------------------- + +block dimensions +name maxbound +type integer +reader urword +optional false +longname maximum number of wells +description REPLACE maxbound {'{#1}': 'wells'} + + +# --------------------- gwf wel period --------------------- + +block period +name iper +type integer +block_variable True +in_record true +tagged false +shape +valid +reader urword +optional false +longname stress period number +description REPLACE iper {} + +block period +name stress_period_data +type recarray cellid q aux boundname +shape (maxbound) +reader urword +longname +description +mf6internal spd + +block period +name cellid +type integer +shape (ncelldim) +tagged false +in_record true +reader urword +longname cell identifier +description REPLACE cellid {} + +block period +name q +type double precision +shape +tagged false +in_record true +reader urword +time_series true +longname well rate +description is the volumetric well rate. A positive value indicates recharge (injection) and a negative value indicates discharge (extraction). If the Options block includes a TIMESERIESFILE entry (see the ``Time-Variable Input'' section), values can be obtained from a time series by entering the time-series name in place of a numeric value. + +block period +name aux +type double precision +in_record true +tagged false +shape (naux) +reader urword +optional true +time_series true +longname auxiliary variables +description REPLACE aux {'{#1}': 'well'} +mf6internal auxvar + +block period +name boundname +type string +shape +tagged false +in_record true +reader urword +optional true +longname well name +description REPLACE boundname {'{#1}': 'well'} diff --git a/dfn/sim-nam.dfn b/dfn/sim-nam.dfn new file mode 100644 index 00000000..3e0955f0 --- /dev/null +++ b/dfn/sim-nam.dfn @@ -0,0 +1,255 @@ +# --------------------- sim nam options --------------------- + +block options +name continue +type keyword +reader urword +optional true +longname continue if not converged +description keyword flag to indicate that the simulation should continue even if one or more solutions do not converge. + +block options +name nocheck +type keyword +reader urword +optional true +longname turn off checking +description keyword flag to indicate that the model input check routines should not be called prior to each time step. Checks are performed by default. + +block options +name memory_print_option +type string +reader urword +optional true +longname memory print option +description is a flag that controls printing of detailed memory manager usage to the end of the simulation list file. NONE means do not print detailed information. SUMMARY means print only the total memory for each simulation component. ALL means print information for each variable stored in the memory manager. NONE is default if MEMORY\_PRINT\_OPTION is not specified. +mf6internal prmem + +block options +name profile_option +type string +reader urword +optional true +longname profiling option +description is a flag that controls performance profiling and reporting. NONE disables profiling. SUMMARY means to measure and print a coarse performance profile. DETAIL means collect and print information with the highest resolution available. NONE is default if PROFILE\_OPTION is not specified. +mf6internal prprof + +block options +name maxerrors +type integer +reader urword +optional true +longname maximum number of errors +description maximum number of errors that will be stored and printed. + +block options +name print_input +type keyword +reader urword +optional true +longname print input to listing file +description keyword to activate printing of simulation input summaries to the simulation list file (mfsim.lst). With this keyword, input summaries will be written for those packages that support newer input data model routines. Not all packages are supported yet by the newer input data model routines. + +block options +name hpc_filerecord +type record hpc6 filein hpc6_filename +shape +reader urword +tagged true +optional true +longname +description hpc record + +block options +name hpc6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname head keyword +description keyword to specify that record corresponds to a hpc file. +extended true + +block options +name filein +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name hpc6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of time series information +description name of input file to define HPC file settings for the HPC package. See the ``HPC File'' section for instructions for preparing HPC input files. +extended true + + +# --------------------- sim nam timing --------------------- + +block timing +name tdis6 +preserve_case true +type string +reader urword +optional +longname name of tdis input file +description is the name of the Temporal Discretization (TDIS) Input File. + + +# --------------------- sim nam models --------------------- + +block models +name models +type recarray mtype mfname mname +reader urword +optional +longname list of models +description is the list of model types, model name files, and model names. + +block models +name mtype +in_record true +type string +tagged false +reader urword +longname model type +description is the type of model to add to simulation. + +block models +name mfname +in_record true +type string +preserve_case true +tagged false +reader urword +longname file name for model name file +description is the file name of the model name file. + +block models +name mname +in_record true +type string +tagged false +reader urword +longname name of model +description is the user-assigned name of the model. The model name cannot exceed 16 characters and must not have blanks within the name. The model name is case insensitive; any lowercase letters are converted and stored as upper case letters. + + +# --------------------- sim nam exchanges --------------------- + +block exchanges +name exchanges +type recarray exgtype exgfile exgmnamea exgmnameb +reader urword +optional +longname list of exchanges +description is the list of exchange types, exchange files, and model names. + +block exchanges +name exgtype +in_record true +type string +tagged false +reader urword +longname exchange type +description is the exchange type. + +block exchanges +name exgfile +in_record true +type string +preserve_case true +tagged false +reader urword +longname input file for exchange +description is the input file for the exchange. + +block exchanges +name exgmnamea +in_record true +type string +tagged false +reader urword +longname name of model A +description is the name of the first model that is part of this exchange. + +block exchanges +name exgmnameb +in_record true +type string +tagged false +reader urword +longname name of model B +description is the name of the second model that is part of this exchange. + + +# --------------------- sim nam solutiongroup --------------------- + +block solutiongroup +name group_num +type integer +block_variable True +in_record true +tagged false +shape +reader urword +longname +description is the group number of the solution group. Solution groups must be numbered sequentially, starting with group number one. + +block solutiongroup +name mxiter +type integer +reader urword +optional true +longname maximum solution group iterations +description is the maximum number of outer iterations for this solution group. The default value is 1. If there is only one solution in the solution group, then MXITER must be 1. + +block solutiongroup +name solutiongroup +type recarray slntype slnfname slnmnames +reader urword +longname solution type and models in the solution +description is the list of solution types and models in the solution. + +block solutiongroup +name slntype +type string +valid ims6 ems6 +in_record true +tagged false +reader urword +longname type of solution +description is the type of solution. The Integrated Model Solution (IMS6) and Explicit Model Solution (EMS6) are the only supported options in this version. + +block solutiongroup +name slnfname +type string +preserve_case true +in_record true +tagged false +reader urword +longname file name for solution input +description name of file containing solution input. + +block solutiongroup +name slnmnames +type string +in_record true +shape (:) +tagged false +reader urword +longname array of model names in this solution +description is the array of model names to add to this solution. The number of model names is determined by the number of model names the user provides on this line. + diff --git a/dfn/sim-tdis.dfn b/dfn/sim-tdis.dfn new file mode 100644 index 00000000..3ad727b5 --- /dev/null +++ b/dfn/sim-tdis.dfn @@ -0,0 +1,113 @@ +# --------------------- sim tdis options --------------------- + +block options +name time_units +type string +reader urword +optional true +longname time unit +description is the time units of the simulation. This is a text string that is used as a label within model output files. Values for time\_units may be ``unknown'', ``seconds'', ``minutes'', ``hours'', ``days'', or ``years''. The default time unit is ``unknown''. + +block options +name start_date_time +type string +reader urword +optional true +longname starting date and time +description is the starting date and time of the simulation. This is a text string that is used as a label within the simulation list file. The value has no effect on the simulation. The recommended format for the starting date and time is described at https://www.w3.org/TR/NOTE-datetime. + +block options +name ats_filerecord +type record ats6 filein ats6_filename +shape +reader urword +tagged true +optional true +longname +description + +block options +name ats6 +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname ats keyword +description keyword to specify that record corresponds to an adaptive time step (ATS) input file. The behavior of ATS and a description of the input file is provided separately. + +block options +name filein +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an input filename is expected next. + +block options +name ats6_filename +type string +preserve_case true +in_record true +reader urword +optional false +tagged false +longname file name of adaptive time series information +description defines an adaptive time step (ATS) input file defining ATS controls. Records in the ATS file can be used to override the time step behavior for selected stress periods. + +# --------------------- sim tdis dimensions --------------------- + +block dimensions +name nper +type integer +reader urword +optional false +longname number of stress periods +description is the number of stress periods for the simulation. +default_value 1 + +# --------------------- sim tdis perioddata --------------------- + +block perioddata +name perioddata +type recarray perlen nstp tsmult +reader urword +optional false +longname stress period time information +description +default_value ((1.0, 1, 1.0),) + +block perioddata +name perlen +type double precision +in_record true +tagged false +reader urword +optional false +longname length of stress period +description is the length of a stress period. + +block perioddata +name nstp +type integer +in_record true +tagged false +reader urword +optional false +longname number of time steps +description is the number of time steps in a stress period. + +block perioddata +name tsmult +type double precision +in_record true +tagged false +reader urword +optional false +longname number of time steps +description is the multiplier for the length of successive time steps. The length of a time step is calculated by multiplying the length of the previous time step by TSMULT. The length of the first time step, $\Delta t_1$, is related to PERLEN, NSTP, and TSMULT by the relation $\Delta t_1= perlen \frac{tsmult - 1}{tsmult^{nstp}-1}$. + diff --git a/dfn/sln-ims.dfn b/dfn/sln-ims.dfn new file mode 100644 index 00000000..9b07f85e --- /dev/null +++ b/dfn/sln-ims.dfn @@ -0,0 +1,389 @@ +# --------------------- sln ims options --------------------- +# flopy solution_package ims * + +block options +name print_option +type string +reader urword +optional true +longname print option +description is a flag that controls printing of convergence information from the solver. NONE means print nothing. SUMMARY means print only the total number of iterations and nonlinear residual reduction summaries. ALL means print linear matrix solver convergence information to the solution listing file and model specific linear matrix solver convergence information to each model listing file in addition to SUMMARY information. NONE is default if PRINT\_OPTION is not specified. + +block options +name complexity +type string +reader urword +optional true +longname print option +description is an optional keyword that defines default non-linear and linear solver parameters. SIMPLE - indicates that default solver input values will be defined that work well for nearly linear models. This would be used for models that do not include nonlinear stress packages and models that are either confined or consist of a single unconfined layer that is thick enough to contain the water table within a single layer. MODERATE - indicates that default solver input values will be defined that work well for moderately nonlinear models. This would be used for models that include nonlinear stress packages and models that consist of one or more unconfined layers. The MODERATE option should be used when the SIMPLE option does not result in successful convergence. COMPLEX - indicates that default solver input values will be defined that work well for highly nonlinear models. This would be used for models that include nonlinear stress packages and models that consist of one or more unconfined layers representing complex geology and surface-water/groundwater interaction. The COMPLEX option should be used when the MODERATE option does not result in successful convergence. Non-linear and linear solver parameters assigned using a specified complexity can be modified in the NONLINEAR and LINEAR blocks. If the COMPLEXITY option is not specified, NONLINEAR and LINEAR variables will be assigned the simple complexity values. + +block options +name csv_output_filerecord +type record csv_output fileout csvfile +shape +reader urword +tagged true +optional true +deprecated 6.1.1 +longname +description + +block options +name csv_output +type keyword +shape +in_record true +reader urword +tagged true +optional false +deprecated 6.1.1 +longname budget keyword +description keyword to specify that the record corresponds to the comma separated values solver convergence output. The CSV\_OUTPUT option has been deprecated and split into the CSV_OUTER_OUTPUT and CSV_INNER_OUTPUT options. Starting with MODFLOW 6 version 6.1.1 if the CSV_OUTPUT option is specified, then it is treated as the CSV_OUTER_OUTPUT option. + +block options +name csvfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +deprecated 6.1.1 +longname file keyword +description name of the ascii comma separated values output file to write solver convergence information. If PRINT\_OPTION is NONE or SUMMARY, comma separated values output includes maximum head change convergence information at the end of each outer iteration for each time step. If PRINT\_OPTION is ALL, comma separated values output includes maximum head change and maximum residual convergence information for the solution and each model (if the solution includes more than one model) and linear acceleration information for each inner iteration. + +block options +name csv_outer_output_filerecord +type record csv_outer_output fileout outer_csvfile +shape +reader urword +tagged true +optional true +longname +description + +block options +name csv_outer_output +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname budget keyword +description keyword to specify that the record corresponds to the comma separated values outer iteration convergence output. + +block options +name fileout +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname file keyword +description keyword to specify that an output filename is expected next. + +block options +name outer_csvfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +longname file keyword +description name of the ascii comma separated values output file to write maximum dependent-variable (for example, head) change convergence information at the end of each outer iteration for each time step. + +block options +name csv_inner_output_filerecord +type record csv_inner_output fileout inner_csvfile +shape +reader urword +tagged true +optional true +longname +description + +block options +name csv_inner_output +type keyword +shape +in_record true +reader urword +tagged true +optional false +longname budget keyword +description keyword to specify that the record corresponds to the comma separated values solver convergence output. + +block options +name inner_csvfile +type string +preserve_case true +shape +in_record true +reader urword +tagged false +optional false +longname file keyword +description name of the ascii comma separated values output file to write solver convergence information. Comma separated values output includes maximum dependent-variable (for example, head) change and maximum residual convergence information for the solution and each model (if the solution includes more than one model) and linear acceleration information for each inner iteration. + +block options +name no_ptcrecord +type record no_ptc no_ptc_option +reader urword +optional true +longname no_ptc record +description + +block options +name no_ptc +type keyword +in_record true +reader urword +optional false +tagged true +longname no pseudo-transient continuation +description is a flag that is used to disable pseudo-transient continuation (PTC). Option only applies to steady-state stress periods for models using the Newton-Raphson formulation. For many problems, PTC can significantly improve convergence behavior for steady-state simulations, and for this reason it is active by default. In some cases, however, PTC can worsen the convergence behavior, especially when the initial conditions are similar to the solution. When the initial conditions are similar to, or exactly the same as, the solution and convergence is slow, then the NO\_PTC FIRST option should be used to deactivate PTC for the first stress period. The NO\_PTC ALL option should also be used in order to compare convergence behavior with other MODFLOW versions, as PTC is only available in MODFLOW 6. + +block options +name no_ptc_option +type string +in_record true +reader urword +optional true +tagged false +longname no pseudo-transient continuation option +description is an optional keyword that is used to define options for disabling pseudo-transient continuation (PTC). FIRST is an optional keyword to disable PTC for the first stress period, if steady-state and one or more model is using the Newton-Raphson formulation. ALL is an optional keyword to disable PTC for all steady-state stress periods for models using the Newton-Raphson formulation. If NO\_PTC\_OPTION is not specified, the NO\_PTC ALL option is used. + +block options +name ats_outer_maximum_fraction +type double precision +reader urword +optional true +longname fraction of outer maximum used with ats +description real value defining the fraction of the maximum allowable outer iterations used with the Adaptive Time Step (ATS) capability if it is active. If this value is set to zero by the user, then this solution will have no effect on ATS behavior. This value must be greater than or equal to zero and less than or equal to 0.5 or the program will terminate with an error. If it is not specified by the user, then it is assigned a default value of one third. When the number of outer iterations for this solution is less than the product of this value and the maximum allowable outer iterations, then ATS will increase the time step length by a factor of DTADJ in the ATS input file. When the number of outer iterations for this solution is greater than the maximum allowable outer iterations minus the product of this value and the maximum allowable outer iterations, then the ATS (if active) will decrease the time step length by a factor of 1 / DTADJ. + + +# --------------------- sln ims nonlinear --------------------- + +block nonlinear +name outer_hclose +type double precision +reader urword +optional true +deprecated 6.1.1 +longname head change criterion +description real value defining the head change criterion for convergence of the outer (nonlinear) iterations, in units of length. When the maximum absolute value of the head change at all nodes during an iteration is less than or equal to OUTER\_HCLOSE, iteration stops. Commonly, OUTER\_HCLOSE equals 0.01. The OUTER\_HCLOSE option has been deprecated in favor of the more general OUTER\_DVCLOSE (for dependent variable), however either one can be specified in order to maintain backward compatibility. + +block nonlinear +name outer_dvclose +type double precision +reader urword +optional false +longname dependent-variable change criterion +description real value defining the dependent-variable (for example, head) change criterion for convergence of the outer (nonlinear) iterations, in units of the dependent-variable (for example, length for head). When the maximum absolute value of the dependent-variable change at all nodes during an iteration is less than or equal to OUTER\_DVCLOSE, iteration stops. Commonly, OUTER\_DVCLOSE equals 0.01. The keyword, OUTER\_HCLOSE can be still be specified instead of OUTER\_DVCLOSE for backward compatibility with previous versions of MODFLOW 6 but eventually OUTER\_HCLOSE will be deprecated and specification of OUTER\_HCLOSE will cause MODFLOW 6 to terminate with an error. + +block nonlinear +name outer_rclosebnd +type double precision +reader urword +optional true +deprecated 6.1.1 +description real value defining the residual tolerance for convergence of model packages that solve a separate equation not solved by the IMS linear solver. This value represents the maximum allowable residual between successive outer iterations at any single model package element. An example of a model package that would use OUTER\_RCLOSEBND to evaluate convergence is the SFR package which solves a continuity equation for each reach. The OUTER\_RCLOSEBND option is deprecated and has no effect on simulation results as of version 6.1.1. The keyword, OUTER\_RCLOSEBND can be still be specified for backward compatibility with previous versions of MODFLOW 6 but eventually specification of OUTER\_RCLOSEBND will cause MODFLOW 6 to terminate with an error. +longname boundary package flow residual tolerance + +block nonlinear +name outer_maximum +type integer +reader urword +optional false +longname outer maximum iterations +description integer value defining the maximum number of outer (nonlinear) iterations -- that is, calls to the solution routine. For a linear problem OUTER\_MAXIMUM should be 1. + +block nonlinear +name under_relaxation +type string +reader urword +optional true +longname under relaxation scheme +description is an optional keyword that defines the nonlinear under-relaxation schemes used. Under-relaxation is also known as dampening, and is used to reduce the size of the calculated dependent variable before proceeding to the next outer iteration. Under-relaxation can be an effective tool for highly nonlinear models when there are large and often counteracting changes in the calculated dependent variable between successive outer iterations. By default under-relaxation is not used. NONE - under-relaxation is not used (default). SIMPLE - Simple under-relaxation scheme with a fixed relaxation factor (UNDER\_RELAXATION\_GAMMA) is used. COOLEY - Cooley under-relaxation scheme is used. DBD - delta-bar-delta under-relaxation is used. Note that the under-relaxation schemes are often used in conjunction with problems that use the Newton-Raphson formulation, however, experience has indicated that they also work well for non-Newton problems, such as those with the wet/dry options of MODFLOW 6. + +block nonlinear +name under_relaxation_gamma +type double precision +reader urword +optional true +longname relaxation factor for SIMPLE or the history or memory term factor for the Cooley and delta-bar-delta algorithms +description real value defining either the relaxation factor for the SIMPLE scheme or the history or memory term factor of the Cooley and delta-bar-delta algorithms. For the SIMPLE scheme, a value of one indicates that there is no under-relaxation and the full head change is applied. This value can be gradually reduced from one as a way to improve convergence; for well behaved problems, using a value less than one can increase the number of outer iterations required for convergence and needlessly increase run times. UNDER\_RELAXATION\_GAMMA must be greater than zero for the SIMPLE scheme or the program will terminate with an error. For the Cooley and delta-bar-delta schemes, UNDER\_RELAXATION\_GAMMA is a memory term that can range between zero and one. When UNDER\_RELAXATION\_GAMMA is zero, only the most recent history (previous iteration value) is maintained. As UNDER\_RELAXATION\_GAMMA is increased, past history of iteration changes has greater influence on the memory term. The memory term is maintained as an exponential average of past changes. Retaining some past history can overcome granular behavior in the calculated function surface and therefore helps to overcome cyclic patterns of non-convergence. The value usually ranges from 0.1 to 0.3; a value of 0.2 works well for most problems. UNDER\_RELAXATION\_GAMMA only needs to be specified if UNDER\_RELAXATION is not NONE. + +block nonlinear +name under_relaxation_theta +type double precision +reader urword +optional true +longname under relaxation reduction factor +description real value defining the reduction factor for the learning rate (under-relaxation term) of the delta-bar-delta algorithm. The value of UNDER\_RELAXATION\_THETA is between zero and one. If the change in the dependent-variable (for example, head) is of opposite sign to that of the previous iteration, the under-relaxation term is reduced by a factor of UNDER\_RELAXATION\_THETA. The value usually ranges from 0.3 to 0.9; a value of 0.7 works well for most problems. UNDER\_RELAXATION\_THETA only needs to be specified if UNDER\_RELAXATION is DBD. + +block nonlinear +name under_relaxation_kappa +type double precision +reader urword +optional true +longname under relaxation increment for the learning rate +description real value defining the increment for the learning rate (under-relaxation term) of the delta-bar-delta algorithm. The value of UNDER\_RELAXATION\_kappa is between zero and one. If the change in the dependent-variable (for example, head) is of the same sign to that of the previous iteration, the under-relaxation term is increased by an increment of UNDER\_RELAXATION\_KAPPA. The value usually ranges from 0.03 to 0.3; a value of 0.1 works well for most problems. UNDER\_RELAXATION\_KAPPA only needs to be specified if UNDER\_RELAXATION is DBD. + +block nonlinear +name under_relaxation_momentum +type double precision +reader urword +optional true +longname fraction of past history changes that is added as a momentum term +description real value defining the fraction of past history changes that is added as a momentum term to the step change for a nonlinear iteration. The value of UNDER\_RELAXATION\_MOMENTUM is between zero and one. A large momentum term should only be used when small learning rates are expected. Small amounts of the momentum term help convergence. The value usually ranges from 0.0001 to 0.1; a value of 0.001 works well for most problems. UNDER\_RELAXATION\_MOMENTUM only needs to be specified if UNDER\_RELAXATION is DBD. + +block nonlinear +name backtracking_number +type integer +reader urword +optional true +longname maximum number of backtracking iterations +description integer value defining the maximum number of backtracking iterations allowed for residual reduction computations. If BACKTRACKING\_NUMBER = 0 then the backtracking iterations are omitted. The value usually ranges from 2 to 20; a value of 10 works well for most problems. + +block nonlinear +name backtracking_tolerance +type double precision +reader urword +optional true +longname tolerance for residual change that is allowed for residual reduction +description real value defining the tolerance for residual change that is allowed for residual reduction computations. BACKTRACKING\_TOLERANCE should not be less than one to avoid getting stuck in local minima. A large value serves to check for extreme residual increases, while a low value serves to control step size more severely. The value usually ranges from 1.0 to 10$^6$; a value of 10$^4$ works well for most problems but lower values like 1.1 may be required for harder problems. BACKTRACKING\_TOLERANCE only needs to be specified if BACKTRACKING\_NUMBER is greater than zero. + +block nonlinear +name backtracking_reduction_factor +type double precision +reader urword +optional true +longname reduction in step size used for residual reduction computations +description real value defining the reduction in step size used for residual reduction computations. The value of BACKTRACKING\_REDUCTION\_FACTOR is between zero and one. The value usually ranges from 0.1 to 0.3; a value of 0.2 works well for most problems. BACKTRACKING\_REDUCTION\_FACTOR only needs to be specified if BACKTRACKING\_NUMBER is greater than zero. + +block nonlinear +name backtracking_residual_limit +type double precision +reader urword +optional true +longname limit to which the residual is reduced with backtracking +description real value defining the limit to which the residual is reduced with backtracking. If the residual is smaller than BACKTRACKING\_RESIDUAL\_LIMIT, then further backtracking is not performed. A value of 100 is suitable for large problems and residual reduction to smaller values may only slow down computations. BACKTRACKING\_RESIDUAL\_LIMIT only needs to be specified if BACKTRACKING\_NUMBER is greater than zero. + + +# --------------------- sln ims linear --------------------- + +block linear +name inner_maximum +type integer +reader urword +optional false +longname maximum number of inner iterations +description integer value defining the maximum number of inner (linear) iterations. The number typically depends on the characteristics of the matrix solution scheme being used. For nonlinear problems, INNER\_MAXIMUM usually ranges from 60 to 600; a value of 100 will be sufficient for most linear problems. + +block linear +name inner_hclose +type double precision +reader urword +optional true +deprecated 6.1.1 +longname head change tolerance +description real value defining the head change criterion for convergence of the inner (linear) iterations, in units of length. When the maximum absolute value of the head change at all nodes during an iteration is less than or equal to INNER\_HCLOSE, the matrix solver assumes convergence. Commonly, INNER\_HCLOSE is set equal to or an order of magnitude less than the OUTER\_HCLOSE value specified for the NONLINEAR block. The INNER\_HCLOSE keyword has been deprecated in favor of the more general INNER\_DVCLOSE (for dependent variable), however either one can be specified in order to maintain backward compatibility. + +block linear +name inner_dvclose +type double precision +reader urword +optional false +longname dependent-variable change tolerance +description real value defining the dependent-variable (for example, head) change criterion for convergence of the inner (linear) iterations, in units of the dependent-variable (for example, length for head). When the maximum absolute value of the dependent-variable change at all nodes during an iteration is less than or equal to INNER\_DVCLOSE, the matrix solver assumes convergence. Commonly, INNER\_DVCLOSE is set equal to or an order of magnitude less than the OUTER\_DVCLOSE value specified for the NONLINEAR block. The keyword, INNER\_HCLOSE can be still be specified instead of INNER\_DVCLOSE for backward compatibility with previous versions of MODFLOW 6 but eventually INNER\_HCLOSE will be deprecated and specification of INNER\_HCLOSE will cause MODFLOW 6 to terminate with an error. + +block linear +name rcloserecord +type record inner_rclose rclose_option +reader urword +optional false +longname rclose record +description + +block linear +name inner_rclose +type double precision +in_record true +reader urword +tagged true +optional false +longname flow residual tolerance +description real value that defines the flow residual tolerance for convergence of the IMS linear solver and specific flow residual criteria used. This value represents the maximum allowable residual at any single node. Value is in units of length cubed per time, and must be consistent with \mf length and time units. Usually a value of $1.0 \times 10^{-1}$ is sufficient for the flow-residual criteria when meters and seconds are the defined \mf length and time. + +block linear +name rclose_option +type string +tagged false +in_record true +reader urword +optional true +longname flow residual tolerance +description an optional keyword that defines the specific flow residual criterion used. STRICT--an optional keyword that is used to specify that INNER\_RCLOSE represents a infinity-Norm (absolute convergence criteria) and that the dependent-variable (for example, head) and flow convergence criteria must be met on the first inner iteration (this criteria is equivalent to the criteria used by the MODFLOW-2005 PCG package~\citep{hill1990preconditioned}). L2NORM\_RCLOSE--an optional keyword that is used to specify that INNER\_RCLOSE represents a L-2 Norm closure criteria instead of a infinity-Norm (absolute convergence criteria). When L2NORM\_RCLOSE is specified, a reasonable initial INNER\_RCLOSE value is 0.1 times the number of active cells when meters and seconds are the defined \mf length and time. RELATIVE\_RCLOSE--an optional keyword that is used to specify that INNER\_RCLOSE represents a relative L-2 Norm reduction closure criteria instead of a infinity-Norm (absolute convergence criteria). When RELATIVE\_RCLOSE is specified, a reasonable initial INNER\_RCLOSE value is $1.0 \times 10^{-4}$ and convergence is achieved for a given inner (linear) iteration when $\Delta h \le$ INNER\_DVCLOSE and the current L-2 Norm is $\le$ the product of the RELATIVE\_RCLOSE and the initial L-2 Norm for the current inner (linear) iteration. If RCLOSE\_OPTION is not specified, an absolute residual (infinity-norm) criterion is used. + +block linear +name linear_acceleration +type string +reader urword +optional false +longname linear acceleration method +description a keyword that defines the linear acceleration method used by the default IMS linear solvers. CG - preconditioned conjugate gradient method. BICGSTAB - preconditioned bi-conjugate gradient stabilized method. + +block linear +name relaxation_factor +type double precision +reader urword +optional true +longname relaxation factor used by ILU factorization +description optional real value that defines the relaxation factor used by the incomplete LU factorization preconditioners (MILU(0) and MILUT). RELAXATION\_FACTOR is unitless and should be greater than or equal to 0.0 and less than or equal to 1.0. RELAXATION\_FACTOR values of about 1.0 are commonly used, and experience suggests that convergence can be optimized in some cases with relax values of 0.97. A RELAXATION\_FACTOR value of 0.0 will result in either ILU(0) or ILUT preconditioning (depending on the value specified for PRECONDITIONER\_LEVELS and/or PRECONDITIONER\_DROP\_TOLERANCE). By default, RELAXATION\_FACTOR is zero. + +block linear +name preconditioner_levels +type integer +reader urword +optional true +longname level of fill for ILU decomposition +description optional integer value defining the level of fill for ILU decomposition used in the ILUT and MILUT preconditioners. Higher levels of fill provide more robustness but also require more memory. For optimal performance, it is suggested that a large level of fill be applied (7 or 8) with use of a drop tolerance. Specification of a PRECONDITIONER\_LEVELS value greater than zero results in use of the ILUT preconditioner. By default, PRECONDITIONER\_LEVELS is zero and the zero-fill incomplete LU factorization preconditioners (ILU(0) and MILU(0)) are used. + +block linear +name preconditioner_drop_tolerance +type double precision +reader urword +optional true +longname drop tolerance used to drop preconditioner terms +description optional real value that defines the drop tolerance used to drop preconditioner terms based on the magnitude of matrix entries in the ILUT and MILUT preconditioners. A value of $10^{-4}$ works well for most problems. By default, PRECONDITIONER\_DROP\_TOLERANCE is zero and the zero-fill incomplete LU factorization preconditioners (ILU(0) and MILU(0)) are used. + +block linear +name number_orthogonalizations +type integer +reader urword +optional true +longname drop tolerance used to drop preconditioner terms +description optional integer value defining the interval used to explicitly recalculate the residual of the flow equation using the solver coefficient matrix, the latest dependent-variable (for example, head) estimates, and the right hand side. For problems that benefit from explicit recalculation of the residual, a number between 4 and 10 is appropriate. By default, NUMBER\_ORTHOGONALIZATIONS is zero. + +block linear +name scaling_method +type string +reader urword +optional true +longname matrix scaling approach +description an optional keyword that defines the matrix scaling approach used. By default, matrix scaling is not applied. NONE - no matrix scaling applied. DIAGONAL - symmetric matrix scaling using the POLCG preconditioner scaling method in Hill (1992). L2NORM - symmetric matrix scaling using the L2 norm. + +block linear +name reordering_method +type string +reader urword +optional true +longname matrix reordering approach +description an optional keyword that defines the matrix reordering approach used. By default, matrix reordering is not applied. NONE - original ordering. RCM - reverse Cuthill McKee ordering. MD - minimum degree ordering. + From 6eaf96e92e88a4ce413964d69a08d097b41a733e Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 14 Aug 2025 10:37:01 +0200 Subject: [PATCH 36/44] Move and rename gwf packages for easier comparison with the generated ones --- flopy4/mf6/modflow/{gwf => }/gwf.py | 24 ++++++++++---------- flopy4/mf6/modflow/gwf/__init__.py | 8 ------- flopy4/mf6/modflow/{gwf/chd.py => gwfchd.py} | 0 flopy4/mf6/modflow/{gwf/dis.py => gwfdis.py} | 0 flopy4/mf6/modflow/{gwf/drn.py => gwfdrn.py} | 0 flopy4/mf6/modflow/{gwf/ic.py => gwfic.py} | 0 flopy4/mf6/modflow/{gwf/npf.py => gwfnpf.py} | 0 flopy4/mf6/modflow/{gwf/oc.py => gwfoc.py} | 0 flopy4/mf6/modflow/{gwf/rch.py => gwfrch.py} | 0 flopy4/mf6/modflow/{gwf/sto.py => gwfsto.py} | 0 flopy4/mf6/modflow/{gwf/wel.py => gwfwel.py} | 0 11 files changed, 12 insertions(+), 20 deletions(-) rename flopy4/mf6/modflow/{gwf => }/gwf.py (82%) delete mode 100644 flopy4/mf6/modflow/gwf/__init__.py rename flopy4/mf6/modflow/{gwf/chd.py => gwfchd.py} (100%) rename flopy4/mf6/modflow/{gwf/dis.py => gwfdis.py} (100%) rename flopy4/mf6/modflow/{gwf/drn.py => gwfdrn.py} (100%) rename flopy4/mf6/modflow/{gwf/ic.py => gwfic.py} (100%) rename flopy4/mf6/modflow/{gwf/npf.py => gwfnpf.py} (100%) rename flopy4/mf6/modflow/{gwf/oc.py => gwfoc.py} (100%) rename flopy4/mf6/modflow/{gwf/rch.py => gwfrch.py} (100%) rename flopy4/mf6/modflow/{gwf/sto.py => gwfsto.py} (100%) rename flopy4/mf6/modflow/{gwf/wel.py => gwfwel.py} (100%) diff --git a/flopy4/mf6/modflow/gwf/gwf.py b/flopy4/mf6/modflow/gwf.py similarity index 82% rename from flopy4/mf6/modflow/gwf/gwf.py rename to flopy4/mf6/modflow/gwf.py index 3d976b98..6316e83b 100644 --- a/flopy4/mf6/modflow/gwf/gwf.py +++ b/flopy4/mf6/modflow/gwf.py @@ -7,19 +7,19 @@ from flopy.discretization.grid import Grid from xattree import xattree -from flopy4.mf6.modflow.gwf.chd import Chd -from flopy4.mf6.modflow.gwf.dis import Dis -from flopy4.mf6.modflow.gwf.drn import Drn -from flopy4.mf6.modflow.gwf.ic import Ic -from flopy4.mf6.modflow.gwf.npf import Npf -from flopy4.mf6.modflow.gwf.oc import Oc -from flopy4.mf6.modflow.gwf.wel import Wel +from flopy4.mf6.modflow.gwf.gwfchd import Chd +from flopy4.mf6.modflow.gwf.gwfdis import Dis +from flopy4.mf6.modflow.gwf.gwfdrn import Drn +from flopy4.mf6.modflow.gwf.gwfic import Ic +from flopy4.mf6.modflow.gwf.gwfnpf import Npf +from flopy4.mf6.modflow.gwf.gwfoc import Oc +from flopy4.mf6.modflow.gwf.gwfwel import Wel from flopy4.mf6.model import Model -from flopy4.mf6.modflow.gwf.chd import Chd -from flopy4.mf6.modflow.gwf.dis import Dis -from flopy4.mf6.modflow.gwf.ic import Ic -from flopy4.mf6.modflow.gwf.npf import Npf -from flopy4.mf6.modflow.gwf.oc import Oc +from flopy4.mf6.modflow.gwf.gwfchd import Chd +from flopy4.mf6.modflow.gwf.gwfdis import Dis +from flopy4.mf6.modflow.gwf.gwfic import Ic +from flopy4.mf6.modflow.gwf.gwfnpf import Npf +from flopy4.mf6.modflow.gwf.gwfoc import Oc from flopy4.mf6.spec import field from flopy4.mf6.utils import open_cbc, open_hds diff --git a/flopy4/mf6/modflow/gwf/__init__.py b/flopy4/mf6/modflow/gwf/__init__.py deleted file mode 100644 index bfbd2e1b..00000000 --- a/flopy4/mf6/modflow/gwf/__init__.py +++ /dev/null @@ -1,8 +0,0 @@ -from flopy4.mf6.modflow.gwf.chd import Chd -from flopy4.mf6.modflow.gwf.dis import Dis -from flopy4.mf6.modflow.gwf.gwf import Gwf -from flopy4.mf6.modflow.gwf.ic import Ic -from flopy4.mf6.modflow.gwf.npf import Npf -from flopy4.mf6.modflow.gwf.oc import Oc - -__all__ = ["Gwf", "Chd", "Dis", "Ic", "Npf", "Oc"] diff --git a/flopy4/mf6/modflow/gwf/chd.py b/flopy4/mf6/modflow/gwfchd.py similarity index 100% rename from flopy4/mf6/modflow/gwf/chd.py rename to flopy4/mf6/modflow/gwfchd.py diff --git a/flopy4/mf6/modflow/gwf/dis.py b/flopy4/mf6/modflow/gwfdis.py similarity index 100% rename from flopy4/mf6/modflow/gwf/dis.py rename to flopy4/mf6/modflow/gwfdis.py diff --git a/flopy4/mf6/modflow/gwf/drn.py b/flopy4/mf6/modflow/gwfdrn.py similarity index 100% rename from flopy4/mf6/modflow/gwf/drn.py rename to flopy4/mf6/modflow/gwfdrn.py diff --git a/flopy4/mf6/modflow/gwf/ic.py b/flopy4/mf6/modflow/gwfic.py similarity index 100% rename from flopy4/mf6/modflow/gwf/ic.py rename to flopy4/mf6/modflow/gwfic.py diff --git a/flopy4/mf6/modflow/gwf/npf.py b/flopy4/mf6/modflow/gwfnpf.py similarity index 100% rename from flopy4/mf6/modflow/gwf/npf.py rename to flopy4/mf6/modflow/gwfnpf.py diff --git a/flopy4/mf6/modflow/gwf/oc.py b/flopy4/mf6/modflow/gwfoc.py similarity index 100% rename from flopy4/mf6/modflow/gwf/oc.py rename to flopy4/mf6/modflow/gwfoc.py diff --git a/flopy4/mf6/modflow/gwf/rch.py b/flopy4/mf6/modflow/gwfrch.py similarity index 100% rename from flopy4/mf6/modflow/gwf/rch.py rename to flopy4/mf6/modflow/gwfrch.py diff --git a/flopy4/mf6/modflow/gwf/sto.py b/flopy4/mf6/modflow/gwfsto.py similarity index 100% rename from flopy4/mf6/modflow/gwf/sto.py rename to 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"https://files.pythonhosted.org/packages/2e/54/647ade08bf0db230bfea292f893923872fd20be6ac6f53b2b936ba839d75/zipp-3.23.0-py3-none-any.whl", hash = "sha256:071652d6115ed432f5ce1d34c336c0adfd6a884660d1e9712a256d3d3bd4b14e", size = 10276, upload_time = "2025-06-08T17:06:38.034Z" }, + { url = "https://files.pythonhosted.org/packages/2e/54/647ade08bf0db230bfea292f893923872fd20be6ac6f53b2b936ba839d75/zipp-3.23.0-py3-none-any.whl", hash = "sha256:071652d6115ed432f5ce1d34c336c0adfd6a884660d1e9712a256d3d3bd4b14e", size = 10276, upload-time = "2025-06-08T17:06:38.034Z" }, ] From 3d428bde873b72ae900106c3d7523276642fec91 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 14 Aug 2025 11:09:02 +0200 Subject: [PATCH 38/44] Rename some more files --- docs/examples/quickstart.py | 4 ++-- flopy4/mf6/modflow/{simulation.py => sim.py} | 0 flopy4/mf6/modflow/{tdis.py => simtdis.py} | 0 flopy4/mf6/modflow/{ims.py => slnims.py} | 0 test/test_codec.py | 2 +- test/test_component.py | 6 +++--- test/test_interface.py | 6 +++--- 7 files changed, 9 insertions(+), 9 deletions(-) rename flopy4/mf6/modflow/{simulation.py => sim.py} (100%) rename flopy4/mf6/modflow/{tdis.py => simtdis.py} (100%) rename flopy4/mf6/modflow/{ims.py => slnims.py} (100%) diff --git a/docs/examples/quickstart.py b/docs/examples/quickstart.py index e7304e27..bfdc36ad 100644 --- a/docs/examples/quickstart.py +++ b/docs/examples/quickstart.py @@ -6,8 +6,8 @@ from flopy.discretization.structuredgrid import StructuredGrid from flopy4.mf6.modflow.gwf import Chd, Gwf, Ic, Npf, Oc -from flopy4.mf6.modflow.ims import Ims -from flopy4.mf6.modflow.simulation import Simulation +from flopy4.mf6.modflow.sim import Simulation +from flopy4.mf6.modflow.slnims import Ims name = "quickstart" workspace = Path(__file__).parent / name diff --git a/flopy4/mf6/modflow/simulation.py b/flopy4/mf6/modflow/sim.py similarity index 100% rename from flopy4/mf6/modflow/simulation.py rename to flopy4/mf6/modflow/sim.py diff --git a/flopy4/mf6/modflow/tdis.py b/flopy4/mf6/modflow/simtdis.py similarity index 100% rename from flopy4/mf6/modflow/tdis.py rename to flopy4/mf6/modflow/simtdis.py diff --git a/flopy4/mf6/modflow/ims.py b/flopy4/mf6/modflow/slnims.py similarity index 100% rename from flopy4/mf6/modflow/ims.py rename to flopy4/mf6/modflow/slnims.py diff --git a/test/test_codec.py b/test/test_codec.py index c63ba248..152858fa 100644 --- a/test/test_codec.py +++ b/test/test_codec.py @@ -55,7 +55,7 @@ def test_dumps_dis(): def test_dumps_tdis(): from flopy.discretization.modeltime import ModelTime - from flopy4.mf6.modflow.tdis import Tdis + from flopy4.mf6.modflow.simtdis import Tdis tdis = Tdis.from_time(ModelTime(perlen=[1.0, 2.0], nstp=[1, 2])) tdis.time_units = "days" diff --git a/test/test_component.py b/test/test_component.py index 177c263d..543f08bb 100644 --- a/test/test_component.py +++ b/test/test_component.py @@ -10,9 +10,9 @@ from flopy4.mf6.component import COMPONENTS from flopy4.mf6.constants import FILL_DNODATA from flopy4.mf6.modflow.gwf import Chd, Dis, Gwf, Ic, Npf, Oc -from flopy4.mf6.modflow.ims import Ims -from flopy4.mf6.modflow.simulation import Simulation -from flopy4.mf6.modflow.tdis import Tdis +from flopy4.mf6.modflow.sim import Simulation +from flopy4.mf6.modflow.simtdis import Tdis +from flopy4.mf6.modflow.slnims import Ims def test_registry(): diff --git a/test/test_interface.py b/test/test_interface.py index 72433447..44f513ee 100644 --- a/test/test_interface.py +++ b/test/test_interface.py @@ -7,9 +7,9 @@ from flopy4.mf6.adapters import Flopy3Model, Flopy3Package from flopy4.mf6.modflow.gwf import Chd, Dis, Gwf, Ic, Npf, Oc -from flopy4.mf6.modflow.ims import Ims -from flopy4.mf6.modflow.simulation import Simulation -from flopy4.mf6.modflow.tdis import Tdis +from flopy4.mf6.modflow.sim import Simulation +from flopy4.mf6.modflow.simtdis import Tdis +from flopy4.mf6.modflow.slnims import Ims def quickstart_model(): From 130896b62d581ac62a8c6acc5919aa2adb6ec69e Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Thu, 14 Aug 2025 16:20:54 +0200 Subject: [PATCH 39/44] Gwf model is now rendered correctly --- .gitignore | 1 + codegen/filters.py | 57 +++++++++--------------- codegen/generate_classes.py | 41 +++++++++-------- codegen/jinja_tests.py | 26 +++++++++++ codegen/make.py | 64 +++++++++++++++------------ codegen/templates/__init__.py.jinja | 4 +- codegen/templates/macros.py.jinja | 42 +++++++++++------- codegen/templates/model.py.jinja | 39 +++++++++++++--- codegen/templates/package.py.jinja | 10 ++--- codegen/templates/record.py.jinja | 6 +-- codegen/templates/simulation.py.jinja | 29 +++++------- 11 files changed, 182 insertions(+), 137 deletions(-) create mode 100644 codegen/jinja_tests.py diff --git a/.gitignore b/.gitignore index d8f3f1e0..ef2d2697 100644 --- a/.gitignore +++ b/.gitignore @@ -9,3 +9,4 @@ venv/ # pixi environments .pixi *.egg-info +dfn/toml diff --git a/codegen/filters.py b/codegen/filters.py index 602d880a..d562846f 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -1,11 +1,14 @@ +import builtins +import keyword import os from enum import Enum -from keyword import kwlist from os import PathLike -from typing import Any, ForwardRef, Literal, Optional, Union, get_args, get_origin +from typing import Any, ForwardRef, Literal, Optional, Union, cast, get_args, get_origin +import jinja2 import numpy as np -from boltons.iterutils import default_enter, remap +from boltons.iterutils import remap +from modflow_devtools.dfn import get_fields from numpy.typing import NDArray @@ -17,32 +20,6 @@ def _try_get_enum_value(v: Any) -> Any: return v.value if isinstance(v, Enum) else v -def _get_vars(d: dict) -> dict[str, dict]: - vars_ = dict() - - def visit(p, k, v): - if isinstance(v, dict) and "type" in v: - if v.get("type") == "recarray": - # Add extra dimension to recarray items - for _, item in v["item"]["fields"].items(): - if v.get("shape", None) is not None: - item["shape"] = v["shape"] - # Add all info from every item to vars_ - vars_.update(v["item"]["fields"].items()) - else: - vars_[k] = v - return True - - def enter(p, k, v): - if isinstance(v, dict) and "type" in v: - return (v, False) - return default_enter(p, k, v) - - dd = d.copy() - remap(dd, enter=enter, visit=visit) - return vars_ - - def _python_type(attr: dict[str, Any]) -> type | ForwardRef: """ Get the Python type of the attribute, e.g. int, str, float, @@ -64,7 +41,7 @@ def _python_type(attr: dict[str, Any]) -> type | ForwardRef: elif attr.get("shape", None) and attr["type"] == "integer": py_type = NDArray[np.int64] elif attr["type"] == "record": - if any(field in attr["fields"] for field in ["filein", "fileout"]): + if any(field in attr["children"] for field in ["filein", "fileout"]): py_type = os.PathLike else: py_type = ForwardRef(Filters.class_name(attr["name"]), is_argument=False, is_class=True) @@ -153,8 +130,7 @@ def attrs(dfn: dict) -> list[dict]: """ Map the context's input variables to corresponding class attributes, where applicable. """ - component_vars = _get_vars(dfn) - return list(component_vars.values()) + return list(get_fields(dfn).values()) @staticmethod def safe_name(v: str) -> str: @@ -163,7 +139,7 @@ def safe_name(v: str) -> str: If the string is a reserved keyword, add a trailing underscore to it. Also replace any hyphens with underscores. """ - return (f"{v}_" if v in kwlist else v).replace("-", "_") + return (f"{v}_" if keyword.iskeyword(v) or v in dir(builtins) else v).replace("-", "_") @staticmethod def math(v: str) -> str: @@ -235,6 +211,15 @@ def class_name(name: str) -> str: return "".join(word.capitalize() for word in name.split("_")) @staticmethod - def is_dis_or_tdis(dfn: dict[str, Any]) -> bool: - name_split = dfn["name"].split("-") - return len(name_split) > 1 and name_split[1] in ["dis", "tdis"] + @jinja2.pass_environment + def children(env: jinja2.Environment, dfn: dict[str, Any]) -> list[dict[str, Any]]: + result = [] + + def visit(_, k, v): + if isinstance(v, dict) and v.get("parent", None) == dfn["name"]: + result.append(v) + return True + + tree = cast(dict, env.globals["dfn_tree"]).copy() + remap(tree, visit=visit) + return result diff --git a/codegen/generate_classes.py b/codegen/generate_classes.py index a95a2521..6b6b6c5e 100644 --- a/codegen/generate_classes.py +++ b/codegen/generate_classes.py @@ -1,5 +1,5 @@ import argparse -import cmd +import logging import shutil import sys import tempfile @@ -10,11 +10,12 @@ from .make import make_all +logger = logging.getLogger(__name__) + _PROJ_ROOT_PATH = Path(__file__).parents[1].expanduser().resolve().absolute() _MF6_AUTOGEN_PATH = _PROJ_ROOT_PATH / "flopy4" / "mf6" / "modflow" _MF6_REPO_OWNER = "MODFLOW-ORG" _MF6_REPO_NAME = "modflow6" -_CMD = cmd.Cmd() # for pretty printing def generate_classes( @@ -22,7 +23,6 @@ def generate_classes( repo=_MF6_REPO_NAME, ref=None, dfnpath=None, - verbose=False, ): """ Generate Python classes for MODFLOW 6 using definition files fetched @@ -45,8 +45,6 @@ def generate_classes( backup : bool, default True Keep a backup of the definition files in dfn_backup with a date and timestamp from when the definition files were replaced. - verbose : bool, default False - If True, print information about the code generation process. """ if dfnpath is None and ref is None: @@ -62,23 +60,22 @@ def generate_classes( f"Specified DFN path '{dfnpath}' does not exist or is not a directory." ) else: - if verbose: - print(f"Fetching MODFLOW 6 definitions from: {owner}/{repo}/{ref}") + logger.info(f"Fetching MODFLOW 6 definitions from: {owner}/{repo}/{ref}") url = f"https://github.com/{owner}/{repo}/archive/{ref}.zip" - dl_path = download_and_unzip(url=url, path=tmpdir, verbose=verbose) + dl_path = download_and_unzip( + url=url, path=tmpdir, verbose=logger.isEnabledFor(logging.INFO) + ) if (proj_root := next(iter(dl_path.glob("modflow6-*")), None)) is None: raise ValueError(f"Could not find MODFLOW 6 project root in: {dl_path}") dfnpath = tmpdir / "dfn" shutil.copytree(proj_root / "doc" / "mf6io" / "mf6ivar" / "dfn", dfnpath) - if verbose: - dfns = list(dfnpath.glob("*.dfn")) - module_name = ".".join(_MF6_AUTOGEN_PATH.relative_to(_PROJ_ROOT_PATH).parts) - print(f"Generating module {module_name} from {len(dfns)} DFNs in: {dfnpath}") - print() - _CMD.columnize([f.name for f in dfns]) - print() + dfns = list(dfnpath.glob("*.dfn")) + module_name = ".".join(_MF6_AUTOGEN_PATH.relative_to(_PROJ_ROOT_PATH).parts) + logger.info(f"Generating module {module_name} from {len(dfns)} DFNs in: {dfnpath}") + for dfn in dfns: + logger.info(f" - {dfn.name}") tomlpath = dfnpath / "toml" tomlpath.mkdir(exist_ok=True) @@ -87,12 +84,11 @@ def generate_classes( shutil.rmtree(_MF6_AUTOGEN_PATH, ignore_errors=True) _MF6_AUTOGEN_PATH.mkdir(parents=True) make_all(dfndir=tomlpath, outdir=_MF6_AUTOGEN_PATH, version=2) - if verbose: - files = list(_MF6_AUTOGEN_PATH.glob("*.py")) - print(f"Generated {len(files)} module files in: {_MF6_AUTOGEN_PATH}") - print() - _CMD.columnize([f.name for f in files]) - print() + + files = list(_MF6_AUTOGEN_PATH.glob("*.py")) + logger.info(f"Generated {len(files)} module files in: {_MF6_AUTOGEN_PATH}") + for f in files: + logger.info(f" - {f.name}") def cli_main(): @@ -154,6 +150,9 @@ def cli_main(): "Exclude DFNs and corresponding source files manually." ) + if args.pop("verbose"): + logger.setLevel(logging.INFO) + try: generate_classes(**args) except (EOFError, KeyboardInterrupt): diff --git a/codegen/jinja_tests.py b/codegen/jinja_tests.py new file mode 100644 index 00000000..5d4059fb --- /dev/null +++ b/codegen/jinja_tests.py @@ -0,0 +1,26 @@ +from typing import Any + + +class Tests: + @staticmethod + def startswith(s: str, prefix: str) -> bool: + """ + Check if string `s` starts with string `prefix`. + """ + return s.startswith(prefix) + + @staticmethod + def endswith(s: str, suffix: str) -> bool: + """ + Check if string `s` ends with string `suffix`. + """ + return s.endswith(suffix) + + @staticmethod + def dis_or_tdis_package(dfn: dict[str, Any]) -> bool: + name_split = dfn["name"].split("-") + return len(name_split) > 1 and name_split[1] in ["dis", "tdis"] + + @staticmethod + def dis_package(dfn: dict[str, Any]) -> bool: + return dfn["name"].endswith("-dis") diff --git a/codegen/make.py b/codegen/make.py index bbca2c45..465898e5 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -1,11 +1,17 @@ +import inspect +import logging import subprocess +import sys from os import PathLike from pathlib import Path import jinja2 -from modflow_devtools.dfn import Dfn +from modflow_devtools.dfn import Dfn, infer_tree from .filters import Filters +from .jinja_tests import Tests + +logger = logging.getLogger() def _get_template_env(): @@ -17,41 +23,41 @@ def _get_template_env(): keep_trailing_newline=True, ) - env.filters["attrs"] = Filters.attrs - env.filters["safe_name"] = Filters.safe_name - env.filters["value"] = Filters.value - env.filters["math"] = Filters.math - env.filters["clean"] = Filters.clean - env.filters["type_str"] = Filters.type_str - env.filters["type_docstr"] = Filters.type_docstr - env.filters["class_name"] = Filters.class_name - env.filters["is_dis_or_tdis"] = Filters.is_dis_or_tdis + env.filters.update(inspect.getmembers(Filters, predicate=inspect.isfunction)) + env.tests.update(inspect.getmembers(Tests, predicate=inspect.isfunction)) return env -def _make_init(dfns: dict, *, outdir: PathLike, verbose: bool = False): - """Generate a Python __init__.py file for the given input definitions.""" - env = _get_template_env() +def _make_init(dfns: list[dict], *, env: jinja2.Environment, outdir: PathLike): + """Generate a Python __init__.py file for the given input definitions. + + Parameters + ---------- + dfns : list[dict] + The list of DFN dictionaries to use for rendering the template. + env : jinja2.Environment + The Jinja2 environment to use for rendering templates. + outdir : PathLike + The output directory where the generated files will be saved. + """ outdir = Path(outdir).expanduser().absolute() target_name = "__init__.py" target_path = outdir / target_name template = env.get_template(f"{target_name}.jinja") with open(target_path, "w") as f: - f.write(template.render(components=dfns.values())) - if verbose: - print(f"Wrote {target_path}") + f.write(template.render(components=dfns)) + logger.info(f"Wrote {target_path}") def _format_files(folder: PathLike): - subprocess.run(["python", "-m", "ruff", "format", folder], check=True, text=True) - subprocess.run(["python", "-m", "ruff", "check", "--fix", folder], check=True, text=True) + subprocess.run([sys.executable, "-m", "ruff", "format", folder], check=True, text=True) + subprocess.run([sys.executable, "-m", "ruff", "check", "--fix", folder], check=True, text=True) -def _make_targets(dfn, *, outdir: PathLike, verbose: bool = False): +def _make_targets(dfn, *, outdir: PathLike, env: jinja2.Environment): """Generate Python source file(s) from the given input definition.""" - env = _get_template_env() outdir = Path(outdir).expanduser().resolve().absolute() def _get_template_name(dfn) -> str: @@ -64,26 +70,28 @@ def _get_template_name(dfn) -> str: return "package.py.jinja" component_name = dfn["name"].replace("-", "") - target_path = outdir / f"mf{component_name}.py" + target_path = outdir / f"{component_name}.py" template = env.get_template(_get_template_name(dfn)) with open(target_path, "w") as f: f.write(template.render(dfn=dfn)) - if verbose: - print(f"Wrote {target_path}") + logger.info(f"Wrote {target_path}") def make_all( *, dfndir: PathLike, outdir: PathLike, - verbose: bool = False, version: int = 1, ): """Generate Python source files from the DFN files in the given location.""" dfndir = Path(dfndir).expanduser().resolve().absolute() - dfns = Dfn.load_all(dfndir, version=version) + loaded_dfns = Dfn.load_all(dfndir, version=version) + dfns = list(loaded_dfns.values()) + + env = _get_template_env() + env.globals["dfn_tree"] = infer_tree(loaded_dfns) - _make_init(dfns, outdir=outdir, verbose=verbose) - for dfn in dfns.values(): - _make_targets(dfn, outdir=outdir, verbose=verbose) + _make_init(dfns, outdir=outdir, env=env) + for dfn in dfns: + _make_targets(dfn, outdir=outdir, env=env) _format_files(outdir) diff --git a/codegen/templates/__init__.py.jinja b/codegen/templates/__init__.py.jinja index 287807c6..2c8d33f4 100644 --- a/codegen/templates/__init__.py.jinja +++ b/codegen/templates/__init__.py.jinja @@ -1,10 +1,10 @@ # autogenerated file, do not modify {% for c in components %} -from .mf{{ c.name|replace("-","") }} import MF{{ c.name|class_name }} +from .{{ c.name|replace("-","") }} import {{ c.name|class_name }} {% endfor %} __all__ = [ {% for c in components %} - "MF{{c.name|class_name}}", + "{{c.name|class_name}}", {% endfor %} ] diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 16a80e86..5310e81a 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -5,26 +5,27 @@ {% endif %} {%- endmacro %} -{% macro xattree_field(attr, dfn) %} -{% if "shape" in attr %} +{% macro xattree_field(attr, dfn, block=None, converter=None) %} +{%- if attr.block == "dimensions" and dfn is dis_or_tdis_package %} +dim( + {{- metadata(attr, block=block) }} + {{- scope_in_field(dfn)}} + {{- default_in_field(attr) }} +) +{%- elif "shape" in attr %} array( - {{- metadata(attr) }} + {{- metadata(attr, block=block) }} {{- default_in_field(attr) }} {{- dims_in_field(attr) }} - {{- converter_in_field(attr) }} + {{- converter_in_field(attr, "dict_to_array") }} {{- on_setattr_in_field(attr) }} {{- reader_in_field(attr) }} ) -{%- elif attr["block"] == "dimensions" and dfn|is_dis_or_tdis %} -dim( - {{- metadata(attr) }} - {{- scope_in_field(dfn)}} - {{- default_in_field(attr) }} -) {%- else %} field( - {{- metadata(attr) }} + {{- metadata(attr, block=block) }} {{- default_in_field(attr) }} + {{- converter_in_field(attr, converter) }} {{- init_in_field(attr) }} ) {%- endif %} @@ -42,8 +43,9 @@ field( {% if attr.block == "period" %}, on_setattr=update_maxbound{% endif %} {%- endmacro %} -{% macro metadata(attr) %} -block="{{ attr.block }}" +{% macro metadata(attr, block=None) %} +{% set block = block or attr.block %} +block="{{ block }}" {%- endmacro %} {% macro default_in_field(attr) %} @@ -64,6 +66,16 @@ block="{{ attr.block }}" , dims=({% for dim in dims %}"{{dim|trim}}",{% endfor %}) {%- endmacro %} -{% macro converter_in_field(attr) %} -, converter=Converter(dict_to_array, takes_self=True, takes_field=True) +{% macro converter_in_field(attr, func_name) %} +{% if func_name %} +, converter=Converter({{func_name}}, takes_self=True, takes_field=True) +{%- endif %} +{%- endmacro %} + +{% macro child_type(attr) %} +{% if attr.multi %} +list[{{ attr.name | class_name }}] +{%- else %} +{{ attr.name | class_name }} | None +{%- endif %} {%- endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index 0402e29a..f4b91f87 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -4,32 +4,57 @@ from os import PathLike +from flopy.discretization.grid import Grid from xattree import define, xattree +from attrs import Converter from flopy4.mf6.model import Model from flopy4.mf6.spec import field +from flopy4.mf6.modflow import {{ dfn|children|map(attribute="name")|map("class_name")|join(",") }} +def _convert_grid(value, _, __): + if isinstance(value, Grid): + return {{ dfn.name|class_name }}Dis.from_grid(value) + if isinstance(value, {{ dfn.name|class_name }}Dis): + return value + raise TypeError(f"Expected Grid or {{ dfn.name|class_name }}Dis, got {type(value)}") @xattree(kw_only=True) -class MF{{ dfn.name|class_name }}(Model): +class {{ dfn.name|class_name }}(Model): """ - MF{{ dfn.name|class_name }} defines a {{ dfn.name }} model. + {{ dfn.name|class_name }} defines a {{ dfn.name }} model. Parameters ---------- {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} - {{ macros.docstrings(attr)|indent(4) -}} - {% endfor %} + {{ macros.docstrings(attr)|indent(4) }} + {%- endfor %} """ - {# Create inner classes for records #} + {# Create inner classes for records. #} {% for attr in dfn|attrs %} - {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} + {% if attr.type == "record" and not "filein" in attr.children and not "fileout" in attr.children %} {% include "record.py.jinja" %} - {% endif %} + {% endfor %} + {# Create attributes for every field in the definition. #} {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) | indent(4) }} {% endfor %} + {# Create attributes for every package that can be added to the model. #} + {% for child_attr in dfn|children %} + {{ child_attr.name | safe_name | replace(dfn.name + "_", "") }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="packages", converter=("_convert_grid" if child_attr is dis_package else None)) | indent(4) }} + {% endfor %} + + {# Find a package in dfn|children that has a name starting with dis. Then create a grid function. #} + {% set dis_package = dfn|children|select("dis_package")|first %} + {% if dis_package %} + @property + def grid(self) -> Grid: + """ + Returns the grid associated with the model. + """ + return self.{{ dis_package.name | safe_name | replace(dfn.name + "_", "") }}.to_grid() + {% endif %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index bc1efeb1..74434ad1 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -17,9 +17,9 @@ from flopy4.mf6.spec import array, field, dim @xattree(kw_only=True) -class MF{{ dfn.name|class_name }}(Package): +class {{ dfn.name|class_name }}(Package): """ - MF{{ dfn.name|class_name }} defines a {{ dfn.name }} package. + {{ dfn.name|class_name }} defines a {{ dfn.name }} package. Parameters ---------- @@ -27,13 +27,9 @@ class MF{{ dfn.name|class_name }}(Package): {{ macros.docstrings(attr)|indent(4) -}} {% endfor %} """ - {% if dfn.multi %} - multi_package: ClassVar[bool] = True - {% endif %} - {# Create inner classes for records #} {% for attr in dfn|attrs %} - {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} + {% if attr.type == "record" and not "filein" in attr.children and not "fileout" in attr.children %} {% include "record.py.jinja" %} {% endif %} diff --git a/codegen/templates/record.py.jinja b/codegen/templates/record.py.jinja index 04181554..b203b327 100644 --- a/codegen/templates/record.py.jinja +++ b/codegen/templates/record.py.jinja @@ -6,10 +6,10 @@ Parameters ---------- - {% for _, field in attr.fields.items() %} + {% for _, field in attr.children.items() %} {{ macros.docstrings(field)|indent(8) }} - {% endfor %} + {%- endfor %} """ - {% for _, field in attr.fields.items() %} + {% for _, field in attr.children.items() %} {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 6f1450ad..3ab7a9b2 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -1,8 +1,9 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} -{% set custom_fields = ["models", "exchanges", "solutiongroup", "tdis6"] %} +{% set custom_fields = ["models", "exchanges", "solutiongroup"] %} from os import PathLike +from typing import ClassVar from warnings import warn from flopy.discretization.modeltime import ModelTime @@ -12,23 +13,24 @@ from xattree import xattree, define from flopy4.mf6.context import Context from flopy4.mf6.exchange import Exchange from flopy4.mf6.model import Model -from flopy4.mf6.modflow.mfsimtdis import MFSimTdis +from flopy4.mf6.modflow.simtdis import SimTdis from flopy4.mf6.solution import Solution from flopy4.mf6.spec import field + def convert_time(value): if isinstance(value, ModelTime): - return MFSimTdis.from_time(value) - if isinstance(value, MFSimTdis): + return SimTdis.from_time(value) + if isinstance(value, SimTdis): return value raise TypeError(f"Expected ModelTime or Tdis, got {type(value)}") @xattree(kw_only=True) -class MF{{dfn.name|class_name}}(Context): +class {{dfn.name|class_name}}(Context): """ - MF{{dfn.name|class_name}} is used to load, build, and/or save a MODFLOW 6 simulation. - A MF{{dfn.name|class_name}} object must be created before creating any of the MODFLOW 6 + {{dfn.name|class_name}} is used to load, build, and/or save a MODFLOW 6 simulation. + A {{dfn.name|class_name}} object must be created before creating any of the MODFLOW 6 model objects. Parameters @@ -37,10 +39,11 @@ class MF{{dfn.name|class_name}}(Context): {{ macros.docstrings(attr)|indent(4) -}} {% endfor %} """ + FILENAME: ClassVar[str] = "mfsim.nam" {# Create inner classes for records #} {% for attr in dfn|attrs %} - {% if attr.type == "record" and not "filein" in attr.fields and not "fileout" in attr.fields %} + {% if attr.type == "record" and not "filein" in attr.children and not "fileout" in attr.children %} {% include "record.py.jinja" %} {% endif %} @@ -49,20 +52,10 @@ class MF{{dfn.name|class_name}}(Context): {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn)|indent(4) }} {% endfor %} - tdis: MFSimTdis = field(block="timing") models: dict[str, Model] = field(block="models") exchanges: dict[str, Exchange] = field(block="exchanges") solutions: dict[str, Solution] = field(block="solutiongroup") - def __attrs_post_init__(self): - super().__attrs_post_init__() - if self.filename != "mfsim.nam": - warn( - "Simulation filename must be 'mfsim.nam'.", - UserWarning, - ) - self.filename = "mfsim.nam" - @property def time(self) -> ModelTime: """Return the simulation time discretization.""" From 47479c4d32e5e0baf49b5f47a4afc74fdb0dc409 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Fri, 15 Aug 2025 11:19:09 +0200 Subject: [PATCH 40/44] Document the assumption that we make during code gen Simplify some lines remove reader from metadata --- codegen/filters.py | 5 +++++ codegen/jinja_tests.py | 15 ++++++++++++-- codegen/templates/__init__.py.jinja | 4 +--- codegen/templates/macros.py.jinja | 18 ++++++++++++----- codegen/templates/model.py.jinja | 11 ++-------- codegen/templates/package.py.jinja | 18 +++++++---------- codegen/templates/record.py.jinja | 29 ++++++++++++++------------- codegen/templates/simulation.py.jinja | 16 ++++++--------- 8 files changed, 62 insertions(+), 54 deletions(-) diff --git a/codegen/filters.py b/codegen/filters.py index d562846f..c39d11fd 100644 --- a/codegen/filters.py +++ b/codegen/filters.py @@ -48,6 +48,7 @@ def _python_type(attr: dict[str, Any]) -> type | ForwardRef: elif "file" in attr["name"]: py_type = PathLike else: + # TODO: Error on unknown type py_type = types.get(attr["type"], Any) if attr.get("optional", False): @@ -223,3 +224,7 @@ def visit(_, k, v): tree = cast(dict, env.globals["dfn_tree"]).copy() remap(tree, visit=visit) return result + + @staticmethod + def double_quote(str: str) -> str: + return f'"{str}"' diff --git a/codegen/jinja_tests.py b/codegen/jinja_tests.py index 5d4059fb..2a33969b 100644 --- a/codegen/jinja_tests.py +++ b/codegen/jinja_tests.py @@ -1,3 +1,4 @@ +import re from typing import Any @@ -19,8 +20,18 @@ def endswith(s: str, suffix: str) -> bool: @staticmethod def dis_or_tdis_package(dfn: dict[str, Any]) -> bool: name_split = dfn["name"].split("-") - return len(name_split) > 1 and name_split[1] in ["dis", "tdis"] + return len(name_split) > 1 and name_split[1] in ["dis", "disu", "disv", "tdis"] @staticmethod def dis_package(dfn: dict[str, Any]) -> bool: - return dfn["name"].endswith("-dis") + """Test whether the dfn is a dis/disu/disv package.""" + return bool(re.match(r"^.*-dis[uv]?$", dfn["name"])) + + @staticmethod + def file_record(attr: dict[str, Any]) -> bool: + """ + Check if the attribute is a file record, i.e., it has a 'filein' or 'fileout' child. + """ + return attr["type"] == "record" and ( + "filein" in attr["children"] or "fileout" in attr["children"] + ) diff --git a/codegen/templates/__init__.py.jinja b/codegen/templates/__init__.py.jinja index 2c8d33f4..ce3476f4 100644 --- a/codegen/templates/__init__.py.jinja +++ b/codegen/templates/__init__.py.jinja @@ -4,7 +4,5 @@ from .{{ c.name|replace("-","") }} import {{ c.name|class_name }} {% endfor %} __all__ = [ - {% for c in components %} - "{{c.name|class_name}}", - {% endfor %} + {{ components | map(attribute="name") | map("class_name") | map("double_quote") | join(",")}} ] diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 5310e81a..f559b292 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -6,6 +6,8 @@ {%- endmacro %} {% macro xattree_field(attr, dfn, block=None, converter=None) %} +{# ASSUMPTION: dis and tdis packages can have dim attributes instead of fields. + These look different from dynamic dimension fields, like maxbound. #} {%- if attr.block == "dimensions" and dfn is dis_or_tdis_package %} dim( {{- metadata(attr, block=block) }} @@ -19,7 +21,6 @@ array( {{- dims_in_field(attr) }} {{- converter_in_field(attr, "dict_to_array") }} {{- on_setattr_in_field(attr) }} - {{- reader_in_field(attr) }} ) {%- else %} field( @@ -35,10 +36,7 @@ field( , scope="{{ dfn.parent }}" {%- endmacro %} -{% macro reader_in_field(attr) %} -, reader="{{ attr.reader }}" -{%- endmacro %} - +{# ASSUMPTION: fields that are arrays and have block=period are part of the maxbound specification. #} {% macro on_setattr_in_field(attr) %} {% if attr.block == "period" %}, on_setattr=update_maxbound{% endif %} {%- endmacro %} @@ -56,6 +54,7 @@ block="{{ block }}" {%- endif %} {%- endmacro %} +{# ASSUMPTION: dimension fields don't need initialization, because they are dynamically updated with on_setattr. #} {% macro init_in_field(attr) %} {% if attr.block == "dimensions" %}, init=False{% endif %} {%- endmacro %} @@ -79,3 +78,12 @@ list[{{ attr.name | class_name }}] {{ attr.name | class_name }} | None {%- endif %} {%- endmacro %} + +{% macro create_inner_classes(dfn) %} +{% for attr in dfn|attrs|selectattr("type", "eq", "record")|reject("file_record") %} +{% filter indent(4, first=true) %} +{% include "record.py.jinja" %} +{% endfilter %} + +{% endfor %} +{%- endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index f4b91f87..ae96eb60 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -12,6 +12,7 @@ from flopy4.mf6.model import Model from flopy4.mf6.spec import field from flopy4.mf6.modflow import {{ dfn|children|map(attribute="name")|map("class_name")|join(",") }} +{# ASSUMPTION: The grid is always DIS for now. Needs to change for DISU and DISV. #} def _convert_grid(value, _, __): if isinstance(value, Grid): return {{ dfn.name|class_name }}Dis.from_grid(value) @@ -31,13 +32,7 @@ class {{ dfn.name|class_name }}(Model): {%- endfor %} """ - {# Create inner classes for records. #} - {% for attr in dfn|attrs %} - {% if attr.type == "record" and not "filein" in attr.children and not "fileout" in attr.children %} - {% include "record.py.jinja" %} - {% endif %} - - {% endfor %} +{{ macros.create_inner_classes(dfn) }} {# Create attributes for every field in the definition. #} {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} @@ -50,11 +45,9 @@ class {{ dfn.name|class_name }}(Model): {# Find a package in dfn|children that has a name starting with dis. Then create a grid function. #} {% set dis_package = dfn|children|select("dis_package")|first %} - {% if dis_package %} @property def grid(self) -> Grid: """ Returns the grid associated with the model. """ return self.{{ dis_package.name | safe_name | replace(dfn.name + "_", "") }}.to_grid() - {% endif %} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 74434ad1..89fa651c 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -27,22 +27,18 @@ class {{ dfn.name|class_name }}(Package): {{ macros.docstrings(attr)|indent(4) -}} {% endfor %} """ - {# Create inner classes for records #} - {% for attr in dfn|attrs %} - {% if attr.type == "record" and not "filein" in attr.children and not "fileout" in attr.children %} - {% include "record.py.jinja" %} - {% endif %} - {% endfor %} +{{ macros.create_inner_classes(dfn) }} - {% for attr in dfn | attrs %} + {# Create attributes for all definitions in the dfn. #} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) | indent(4) }} {% endfor %} + {# ASSUMPTION: packages with period blocks will have a maxbound variable. #} {% if dfn.period %} def __attrs_post_init__(self) -> None: - # TODO: Check if this code actually works as intended - periods = [getattr(self, x.name) for x in self.__attrs_attrs__ if x.metadata.get("block") == "period"] - if any(x is not None for x in periods): - update_maxbound(self, None, None) + # TODO: Should new_value be the maximum of all the bounds? + # Or can update_maxbound figure that out? + update_maxbound(self, None, None) {% endif %} diff --git a/codegen/templates/record.py.jinja b/codegen/templates/record.py.jinja index b203b327..c8fd9f29 100644 --- a/codegen/templates/record.py.jinja +++ b/codegen/templates/record.py.jinja @@ -1,15 +1,16 @@ - @define(kw_only=True) - class {{ attr.name|class_name}}: - """ - {{ attr.longname }} - {{ attr.description }} +{% import 'macros.py.jinja' as macros %} +@define(kw_only=True) +class {{ attr.name|class_name}}: + """ + {{ attr.longname }} + {{ attr.description }} - Parameters - ---------- - {% for _, field in attr.children.items() %} - {{ macros.docstrings(field)|indent(8) }} - {%- endfor %} - """ - {% for _, field in attr.children.items() %} - {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) - {% endfor %} + Parameters + ---------- + {% for _, field in attr.children.items() %} + {{ macros.docstrings(field)|indent(4) }} + {%- endfor %} + """ + {% for _, field in attr.children.items() %} + {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) + {% endfor %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index 3ab7a9b2..d3ccbae1 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -18,7 +18,7 @@ from flopy4.mf6.solution import Solution from flopy4.mf6.spec import field - +{# ASSUMPTION: SimTdis is assumed to exist here for now. Better to find this package in the dfns. #} def convert_time(value): if isinstance(value, ModelTime): return SimTdis.from_time(value) @@ -41,25 +41,21 @@ class {{dfn.name|class_name}}(Context): """ FILENAME: ClassVar[str] = "mfsim.nam" - {# Create inner classes for records #} - {% for attr in dfn|attrs %} - {% if attr.type == "record" and not "filein" in attr.children and not "fileout" in attr.children %} - {% include "record.py.jinja" %} - - {% endif %} - {% endfor %} +{{ macros.create_inner_classes(dfn) }} {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} - {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn)|indent(4) }} + {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) }} {% endfor %} models: dict[str, Model] = field(block="models") exchanges: dict[str, Exchange] = field(block="exchanges") solutions: dict[str, Solution] = field(block="solutiongroup") + {# ASSUMPTION: sim always contains a timing block with one item. #} + {% set tdis_attr = dfn|attrs|selectattr("block", "eq", "timing")|first %} @property def time(self) -> ModelTime: """Return the simulation time discretization.""" - return self.tdis.to_time() + return self.{{ tdis_attr.name|safe_name }}.to_time() def run(self, exe: str | PathLike = "mf6", verbose: bool = False) -> None: """Run the simulation using the given executable.""" From a5e6b6bf1d3f462b1fb570e0d8ff9767f55cef6c Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Fri, 15 Aug 2025 13:12:22 +0200 Subject: [PATCH 41/44] Add models and solutions in the simulation --- codegen/templates/macros.py.jinja | 1 + codegen/templates/model.py.jinja | 4 ++-- codegen/templates/package.py.jinja | 12 ++---------- codegen/templates/simulation.py.jinja | 21 +++++++++++++++------ 4 files changed, 20 insertions(+), 18 deletions(-) diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index f559b292..35c28913 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -75,6 +75,7 @@ block="{{ block }}" {% if attr.multi %} list[{{ attr.name | class_name }}] {%- else %} +{# ASSUMPTION: All single instances are optional, because the dfn doesn't tell us yet. #} {{ attr.name | class_name }} | None {%- endif %} {%- endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index ae96eb60..93d187d1 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -36,11 +36,11 @@ class {{ dfn.name|class_name }}(Model): {# Create attributes for every field in the definition. #} {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} - {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) | indent(4) }} + {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) }} {% endfor %} {# Create attributes for every package that can be added to the model. #} {% for child_attr in dfn|children %} - {{ child_attr.name | safe_name | replace(dfn.name + "_", "") }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="packages", converter=("_convert_grid" if child_attr is dis_package else None)) | indent(4) }} + {{ child_attr.name | safe_name | replace(dfn.name + "_", "") }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="packages", converter=("_convert_grid" if child_attr is dis_package else None)) }} {% endfor %} {# Find a package in dfn|children that has a name starting with dis. Then create a grid function. #} diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 89fa651c..3a927363 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -10,7 +10,7 @@ from attrs import Converter from numpy.typing import NDArray from xattree import xattree, define -from flopy4.mf6.attr_hooks import update_maxbound +from flopy4.mf6.component import update_maxbound from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field, dim @@ -32,13 +32,5 @@ class {{ dfn.name|class_name }}(Package): {# Create attributes for all definitions in the dfn. #} {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} - {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) | indent(4) }} + {{ attr.name | safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) }} {% endfor %} - - {# ASSUMPTION: packages with period blocks will have a maxbound variable. #} - {% if dfn.period %} - def __attrs_post_init__(self) -> None: - # TODO: Should new_value be the maximum of all the bounds? - # Or can update_maxbound figure that out? - update_maxbound(self, None, None) - {% endif %} diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/simulation.py.jinja index d3ccbae1..fc63e8f0 100644 --- a/codegen/templates/simulation.py.jinja +++ b/codegen/templates/simulation.py.jinja @@ -8,14 +8,14 @@ from warnings import warn from flopy.discretization.modeltime import ModelTime from modflow_devtools.misc import cd, run_cmd -from xattree import xattree, define +from xattree import fields, xattree from flopy4.mf6.context import Context from flopy4.mf6.exchange import Exchange from flopy4.mf6.model import Model -from flopy4.mf6.modflow.simtdis import SimTdis from flopy4.mf6.solution import Solution from flopy4.mf6.spec import field +from flopy4.mf6.modflow import {{ dfn|children|map(attribute="name")|map("class_name")|join(",") }} {# ASSUMPTION: SimTdis is assumed to exist here for now. Better to find this package in the dfns. #} @@ -46,16 +46,25 @@ class {{dfn.name|class_name}}(Context): {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) }} {% endfor %} - models: dict[str, Model] = field(block="models") + + {% for child_attr in dfn|children %} + {% if child_attr.name.startswith(dfn.name) %} + {{ child_attr.name | safe_name | replace(dfn.name + "_", "") }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="packages") }} + {% elif child_attr.name.startswith("sln") %} + {{ child_attr.name | safe_name | replace("sln_", "") }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="solutiongroup") }} + {% else %} + {{ child_attr.name | safe_name }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="models") }} + {% endif %} + {% endfor %} + exchanges: dict[str, Exchange] = field(block="exchanges") - solutions: dict[str, Solution] = field(block="solutiongroup") {# ASSUMPTION: sim always contains a timing block with one item. #} - {% set tdis_attr = dfn|attrs|selectattr("block", "eq", "timing")|first %} + {% set tdis_attr = dfn|children|selectattr("name", "endswith", "tdis")|first %} @property def time(self) -> ModelTime: """Return the simulation time discretization.""" - return self.{{ tdis_attr.name|safe_name }}.to_time() + return self.{{ tdis_attr.name|safe_name|replace(dfn.name + "_", "") }}.to_time() def run(self, exe: str | PathLike = "mf6", verbose: bool = False) -> None: """Run the simulation using the given executable.""" From ab1888dae26e114ff028b0dd613ea7a3a1a7bc3a Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Fri, 15 Aug 2025 14:10:03 +0200 Subject: [PATCH 42/44] Add from_grid, to_grid, from_time, to_time functions --- codegen/make.py | 11 ++-- codegen/templates/dis.py.jinja | 53 +++++++++++++++++++ codegen/templates/sim-tdis.py.jinja | 25 +++++++++ .../{simulation.py.jinja => sim.py.jinja} | 0 4 files changed, 86 insertions(+), 3 deletions(-) create mode 100644 codegen/templates/dis.py.jinja create mode 100644 codegen/templates/sim-tdis.py.jinja rename codegen/templates/{simulation.py.jinja => sim.py.jinja} (100%) diff --git a/codegen/make.py b/codegen/make.py index 465898e5..de45cc33 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -59,13 +59,18 @@ def _format_files(folder: PathLike): def _make_targets(dfn, *, outdir: PathLike, env: jinja2.Environment): """Generate Python source file(s) from the given input definition.""" outdir = Path(outdir).expanduser().resolve().absolute() + assert env.loader is not None + all_templates = env.loader.list_templates() def _get_template_name(dfn) -> str: parent = dfn.get("parent", None) - if parent is None: - return "simulation.py.jinja" - elif parent == "sim" and "-" not in dfn["name"]: + full_template_name = dfn["name"] + ".py.jinja" + if full_template_name in all_templates: + return full_template_name + if parent == "sim" and "-" not in dfn["name"]: return "model.py.jinja" + if dfn["name"].endswith("-dis"): + return "dis.py.jinja" else: return "package.py.jinja" diff --git a/codegen/templates/dis.py.jinja b/codegen/templates/dis.py.jinja new file mode 100644 index 00000000..a3a6c777 --- /dev/null +++ b/codegen/templates/dis.py.jinja @@ -0,0 +1,53 @@ +from flopy.discretization.structuredgrid import StructuredGrid + +{% include "package.py.jinja" %} + {# ASSUMPTION: nlay, nrow, and ncol exist in the dfn. #} + @property + def nnodes(self) -> int: + return self.nlay * self.nrow * self.ncol + + def to_grid(self) -> StructuredGrid: + """ + Convert the discretization to a `StructuredGrid`. + + Returns + ------- + StructuredGrid + A `StructuredGrid` with the same dimensions and data as the `{{dfn.name|class_name}}`. + """ + return StructuredGrid( + nlay=self.nlay, + nrow=self.nrow, + ncol=self.ncol, + delr=self.delr, + delc=self.delc, + top=self.top, + botm=self.botm, + idomain=self.idomain, + ) + + @staticmethod + def from_grid(grid: StructuredGrid) -> "{{dfn.name|class_name}}": + """ + Create a discretization from a `StructuredGrid`. + + Parameters + ---------- + grid : StructuredGrid + A structured grid. + + Returns + ------- + {{dfn.name|class_name}} + A discretization with the same dimensions and data as the grid. + """ + return {{dfn.name|class_name}}( + nlay=grid.nlay, + nrow=grid.nrow, + ncol=grid.ncol, + delr=grid.delr, + delc=grid.delc, + top=grid.top, + botm=grid.botm, + idomain=grid.idomain, + ) diff --git a/codegen/templates/sim-tdis.py.jinja b/codegen/templates/sim-tdis.py.jinja new file mode 100644 index 00000000..52ae34c0 --- /dev/null +++ b/codegen/templates/sim-tdis.py.jinja @@ -0,0 +1,25 @@ +from flopy.discretization.modeltime import ModelTime +{% include "package.py.jinja" %} + + def to_time(self) -> ModelTime: + """Convert to a `ModelTime` object.""" + return ModelTime( + nper=self.nper, + time_units=self.time_units, + start_date_time=self.start_date_time, + perlen=self.perlen, + nstp=self.nstp, + tsmult=self.tsmult, + ) + + @staticmethod + def from_time(time: ModelTime) -> "{{dfn.name|class_name}}": + """Create a time discretization from a `ModelTime`.""" + return cls( + nper=time.nper, + time_units=time.time_units, + start_date_time=time.start_datetime, + perlen=time.perlen, + nstp=time.nstp, + tsmult=time.tsmult, + ) diff --git a/codegen/templates/simulation.py.jinja b/codegen/templates/sim.py.jinja similarity index 100% rename from codegen/templates/simulation.py.jinja rename to codegen/templates/sim.py.jinja From ebe8c195b96fb4bfdfdb03fc34a7b773b20b48e2 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Fri, 15 Aug 2025 16:08:36 +0200 Subject: [PATCH 43/44] Only add update_maxbound if maxbound attribute exists --- codegen/templates/macros.py.jinja | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 35c28913..3b2cf822 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -20,7 +20,7 @@ array( {{- default_in_field(attr) }} {{- dims_in_field(attr) }} {{- converter_in_field(attr, "dict_to_array") }} - {{- on_setattr_in_field(attr) }} + {{- on_setattr_in_field(attr, dfn) }} ) {%- else %} field( @@ -37,8 +37,8 @@ field( {%- endmacro %} {# ASSUMPTION: fields that are arrays and have block=period are part of the maxbound specification. #} -{% macro on_setattr_in_field(attr) %} -{% if attr.block == "period" %}, on_setattr=update_maxbound{% endif %} +{% macro on_setattr_in_field(attr, dfn) %} +{% if attr.block == "period" and "maxbound" in dfn|attrs|map(attribute="name") %}, on_setattr=update_maxbound{% endif %} {%- endmacro %} {% macro metadata(attr, block=None) %} From cc9c9b87f3a5d590b4f857553ce000e12a94b403 Mon Sep 17 00:00:00 2001 From: deltamarnix Date: Tue, 19 Aug 2025 14:04:19 +0200 Subject: [PATCH 44/44] Fix custom docstrings in sim and fix word wrapping of inner classes --- codegen/make.py | 1 + codegen/templates/macros.py.jinja | 16 +++++++++------ codegen/templates/model.py.jinja | 11 ++++++++--- codegen/templates/package.py.jinja | 4 ++-- codegen/templates/record.py.jinja | 5 +++-- codegen/templates/sim.py.jinja | 31 +++++++++++++++--------------- 6 files changed, 39 insertions(+), 29 deletions(-) diff --git a/codegen/make.py b/codegen/make.py index de45cc33..f7f86fd5 100644 --- a/codegen/make.py +++ b/codegen/make.py @@ -95,6 +95,7 @@ def make_all( env = _get_template_env() env.globals["dfn_tree"] = infer_tree(loaded_dfns) + env.globals["line_width"] = 100 _make_init(dfns, outdir=outdir, env=env) for dfn in dfns: diff --git a/codegen/templates/macros.py.jinja b/codegen/templates/macros.py.jinja index 3b2cf822..4e8609e9 100644 --- a/codegen/templates/macros.py.jinja +++ b/codegen/templates/macros.py.jinja @@ -1,8 +1,12 @@ -{% macro docstrings(var) %} -{{ var.name|safe_name }} : {{ var|type_docstr }} +{% macro doc_description(var, indent=0) %} {% if var.description is defined and var.description is not none %} - {{ var.description|clean|math|wordwrap|indent(4) }} -{% endif %} +{{ var.description|clean|math|wordwrap(line_width-indent) }} +{%- endif %} +{%- endmacro %} + +{% macro docstrings(var, indent=0) %} +{{ var.name|safe_name }} : {{ var|type_docstr }} + {{ doc_description(var, indent=indent+4)|indent(4) }} {%- endmacro %} {% macro xattree_field(attr, dfn, block=None, converter=None) %} @@ -71,12 +75,12 @@ block="{{ block }}" {%- endif %} {%- endmacro %} -{% macro child_type(attr) %} +{% macro child_type(attr, optional="| None") %} {% if attr.multi %} list[{{ attr.name | class_name }}] {%- else %} {# ASSUMPTION: All single instances are optional, because the dfn doesn't tell us yet. #} -{{ attr.name | class_name }} | None +{{ attr.name | class_name }}{{ optional }} {%- endif %} {%- endmacro %} diff --git a/codegen/templates/model.py.jinja b/codegen/templates/model.py.jinja index 93d187d1..654eec4b 100644 --- a/codegen/templates/model.py.jinja +++ b/codegen/templates/model.py.jinja @@ -28,8 +28,11 @@ class {{ dfn.name|class_name }}(Model): Parameters ---------- {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} - {{ macros.docstrings(attr)|indent(4) }} - {%- endfor %} + {{ macros.docstrings(attr, indent=4)|indent(4) }} + {% endfor %} + {% for child_attr in dfn|children %} + {{ child_attr.name | safe_name | replace(dfn.name + "_", "") }} : {{ macros.child_type(child_attr, optional=", optional") }} + {% endfor %} """ {{ macros.create_inner_classes(dfn) }} @@ -50,4 +53,6 @@ class {{ dfn.name|class_name }}(Model): """ Returns the grid associated with the model. """ - return self.{{ dis_package.name | safe_name | replace(dfn.name + "_", "") }}.to_grid() + {% set dis_var_name = dis_package.name | safe_name | replace(dfn.name + "_", "") %} + assert self.{{ dis_var_name }} is not None + return self.{{ dis_var_name }}.to_grid() diff --git a/codegen/templates/package.py.jinja b/codegen/templates/package.py.jinja index 3a927363..68cc473a 100644 --- a/codegen/templates/package.py.jinja +++ b/codegen/templates/package.py.jinja @@ -23,8 +23,8 @@ class {{ dfn.name|class_name }}(Package): Parameters ---------- - {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields)%} - {{ macros.docstrings(attr)|indent(4) -}} + {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields) %} + {{ macros.docstrings(attr, indent=4)|indent(4) }} {% endfor %} """ diff --git a/codegen/templates/record.py.jinja b/codegen/templates/record.py.jinja index c8fd9f29..c4f0aee1 100644 --- a/codegen/templates/record.py.jinja +++ b/codegen/templates/record.py.jinja @@ -7,9 +7,10 @@ class {{ attr.name|class_name}}: Parameters ---------- + {# ASSUMPTION: Records are expected only on 1 level, so indentation is set to 8 for the docstrings #} {% for _, field in attr.children.items() %} - {{ macros.docstrings(field)|indent(4) }} - {%- endfor %} + {{ macros.docstrings(field, indent=8)|indent(4) }} + {% endfor %} """ {% for _, field in attr.children.items() %} {{ field.name }}: {{ field | type_str }} = field({{ macros.metadata(field) }}{{ macros.default_in_field(field) }}) diff --git a/codegen/templates/sim.py.jinja b/codegen/templates/sim.py.jinja index fc63e8f0..c3ae1acb 100644 --- a/codegen/templates/sim.py.jinja +++ b/codegen/templates/sim.py.jinja @@ -1,6 +1,6 @@ # autogenerated file, do not modify {% import 'macros.py.jinja' as macros %} -{% set custom_fields = ["models", "exchanges", "solutiongroup"] %} +{% set custom_fields = ["models", "exchanges", "solutiongroup", "tdis6"] %} from os import PathLike from typing import ClassVar @@ -8,18 +8,18 @@ from warnings import warn from flopy.discretization.modeltime import ModelTime from modflow_devtools.misc import cd, run_cmd -from xattree import fields, xattree +from xattree import xattree from flopy4.mf6.context import Context from flopy4.mf6.exchange import Exchange from flopy4.mf6.model import Model -from flopy4.mf6.solution import Solution -from flopy4.mf6.spec import field from flopy4.mf6.modflow import {{ dfn|children|map(attribute="name")|map("class_name")|join(",") }} +from flopy4.mf6.package import Package +from flopy4.mf6.spec import field {# ASSUMPTION: SimTdis is assumed to exist here for now. Better to find this package in the dfns. #} -def convert_time(value): +def _convert_time(value): if isinstance(value, ModelTime): return SimTdis.from_time(value) if isinstance(value, SimTdis): @@ -36,8 +36,14 @@ class {{dfn.name|class_name}}(Context): Parameters ---------- {% for attr in dfn|attrs|rejectattr("name", "in", custom_fields)%} - {{ macros.docstrings(attr)|indent(4) -}} + {{ macros.docstrings(attr, indent=4)|indent(4) }} {% endfor %} + models : dict[str, Model] + {{ macros.doc_description(dfn|attrs|selectattr("name", "eq", "models")|first, indent=8) }} + exchanges : dict[str, Exchange] + {{ macros.doc_description(dfn|attrs|selectattr("name", "eq", "exchanges")|first, indent=8) }} + solutiongroup : dict[str, Package] + {{ macros.doc_description(dfn|attrs|selectattr("name", "eq", "solutiongroup")|first, indent=8) }} """ FILENAME: ClassVar[str] = "mfsim.nam" @@ -47,17 +53,10 @@ class {{dfn.name|class_name}}(Context): {{ attr.name|safe_name }}: {{ attr | type_str }} = {{ macros.xattree_field(attr, dfn) }} {% endfor %} - {% for child_attr in dfn|children %} - {% if child_attr.name.startswith(dfn.name) %} - {{ child_attr.name | safe_name | replace(dfn.name + "_", "") }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="packages") }} - {% elif child_attr.name.startswith("sln") %} - {{ child_attr.name | safe_name | replace("sln_", "") }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="solutiongroup") }} - {% else %} - {{ child_attr.name | safe_name }}: {{ macros.child_type(child_attr) }} = {{ macros.xattree_field(child_attr, dfn, block="models") }} - {% endif %} - {% endfor %} - + tdis: SimTdis = field(converter=_convert_time, block="timing") + models: dict[str, Model] = field(block="models") exchanges: dict[str, Exchange] = field(block="exchanges") + solutiongroup: dict[str, Package] = field(block="solutiongroup") {# ASSUMPTION: sim always contains a timing block with one item. #} {% set tdis_attr = dfn|children|selectattr("name", "endswith", "tdis")|first %}