support path fields (#213)

leaves open the possibility of file variables that don't use FILEIN or FILEOUT although I think they all do right now. also cleanup an unused function in the converter

Author: wpbonelli

flopy4/mf6/converter.py

@@ -18,26 +18,17 @@
 from flopy4.mf6.config import SPARSE_THRESHOLD
 from flopy4.mf6.constants import FILL_DNODATA
 from flopy4.mf6.context import Context
-from flopy4.mf6.spec import fields_dict
+from flopy4.mf6.spec import FileInOut
 
 
-def _attach_field_metadata(
-    dataset: xr.Dataset, component_type: type, field_names: list[str]
-) -> None:
-    # TODO: attach metadata to array attrs instead of dataset attrs
-    field_metadata = {}
-    component_fields = fields_dict(component_type)
-    for field_name in field_names:
-        if field_name in component_fields:
-            field_metadata[field_name] = component_fields[field_name].metadata
-    dataset.attrs["field_metadata"] = field_metadata
-
-
-def _path_to_tuple(field_name: str, path_value: Path) -> tuple:
-    if field_name.endswith("_file"):
-        base_name = field_name.replace("_file", "").upper()
-        return (base_name, "FILEOUT", str(path_value))
-    return (field_name.upper(), "FILEOUT", str(path_value))
+def path_to_tuple(name: str, value: Path, inout: FileInOut) -> tuple[str, ...]:
+    t = [name.upper()]
+    if name.endswith("_file"):
+        t[0] = name.replace("_file", "").upper()
+    if inout:
+        t.append(inout.upper())
+    t.append(str(value))
+    return tuple(t)
 
 
 def get_binding_blocks(value: Component) -> dict[str, dict[str, list[tuple[str, ...]]]]:
@@ -100,9 +91,11 @@ def unstructure_component(value: Component) -> dict[str, Any]:
             #     (and split the period data into separate kper-indexed blocks)
             #   - other values to their original form
             if isinstance(field_value, Path):
-                rec = _path_to_tuple(field_name, field_value)
+                field_spec = xatspec.attrs[field_name]
+                field_meta = getattr(field_spec, "metadata", {})
+                t = path_to_tuple(field_name, field_value, inout=field_meta.get("inout", "fileout"))
                 # name may have changed e.g dropping '_file' suffix
-                blocks[block_name][rec[0]] = rec
+                blocks[block_name][t[0]] = t
             elif isinstance(field_value, datetime):
                 blocks[block_name][field_name] = field_value.isoformat()
             elif (
@@ -165,7 +158,6 @@ def unstructure_component(value: Component) -> dict[str, Any]:
 
         if block_name in period_data and isinstance(period_data[block_name], dict):
             dataset = xr.Dataset(period_data[block_name])
-            _attach_field_metadata(dataset, type(value), list(period_data[block_name].keys()))  # type: ignore
             blocks[block_name] = {block_name: dataset}
             del period_data[block_name]
 
@@ -177,7 +169,6 @@ def unstructure_component(value: Component) -> dict[str, Any]:
 
         for kper, block in period_blocks.items():
             dataset = xr.Dataset(block)
-            _attach_field_metadata(dataset, type(value), list(block.keys()))
             blocks[f"{block_name} {kper + 1}"] = {block_name: dataset}
 
     # make sure options block always comes first

flopy4/mf6/gwf/__init__.py

@@ -15,8 +15,9 @@
 from flopy4.mf6.gwf.oc import Oc
 from flopy4.mf6.gwf.wel import Wel
 from flopy4.mf6.model import Model
-from flopy4.mf6.spec import field
+from flopy4.mf6.spec import field, path
 from flopy4.mf6.utils import open_cbc, open_hds
+from flopy4.utils import to_path
 
 __all__ = ["Gwf", "Chd", "Dis", "Drn", "Ic", "Npf", "Oc", "Wel"]
 
@@ -61,9 +62,15 @@ def budget(self):
     print_flows: bool = field(block="options", default=False)
     save_flows: bool = field(block="options", default=False)
     newtonoptions: Optional[NewtonOptions] = field(block="options", default=None)
-    nc_mesh2d_filerecord: Optional[Path] = field(block="options", default=None)
-    nc_structured_filerecord: Optional[Path] = field(block="options", default=None)
-    nc_filerecord: Optional[Path] = field(block="options", default=None)
+    nc_mesh2d_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
+    nc_structured_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
+    nc_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
     dis: Dis = field(converter=convert_grid, block="packages")
     ic: Ic = field(block="packages")
     oc: Oc = field(block="packages")

flopy4/mf6/gwf/chd.py

@@ -9,7 +9,8 @@
 from flopy4.mf6.component import update_maxbound
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
-from flopy4.mf6.spec import array, field
+from flopy4.mf6.spec import array, field, path
+from flopy4.utils import to_path
 
 
 @xattree
@@ -21,8 +22,12 @@ class Chd(Package):
     print_input: bool = field(block="options", default=False)
     print_flows: bool = field(block="options", default=False)
     save_flows: bool = field(block="options", default=False)
-    ts_filerecord: Optional[Path] = field(block="options", default=None)
-    obs_filerecord: Optional[Path] = field(block="options", default=None)
+    ts_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="filein"
+    )
+    obs_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
     dev_no_newton: bool = field(default=False, block="options")
     maxbound: Optional[int] = field(block="dimensions", default=None, init=False)
     head: Optional[NDArray[np.float64]] = array(

flopy4/mf6/gwf/drn.py

@@ -9,7 +9,8 @@
 from flopy4.mf6.component import update_maxbound
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
-from flopy4.mf6.spec import array, field
+from flopy4.mf6.spec import array, field, path
+from flopy4.utils import to_path
 
 
 @xattree
@@ -22,8 +23,12 @@ class Drn(Package):
     print_input: bool = field(block="options", default=False)
     print_flows: bool = field(block="options", default=False)
     save_flows: bool = field(block="options", default=False)
-    ts_filerecord: Optional[Path] = field(block="options", default=None)
-    obs_filerecord: Optional[Path] = field(block="options", default=None)
+    ts_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="filein"
+    )
+    obs_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
     mover: bool = field(block="options", default=False)
     dev_cubic_scaling: bool = field(default=False, block="options")
     maxbound: Optional[int] = field(block="dimensions", default=None, init=False)

flopy4/mf6/gwf/npf.py

@@ -8,7 +8,8 @@
 
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
-from flopy4.mf6.spec import array, field
+from flopy4.mf6.spec import array, field, path
+from flopy4.utils import to_path
 
 
 @xattree
@@ -42,7 +43,9 @@ class Xt3dOptions:
     save_saturation: bool = field(block="options", default=None)
     k22overk: bool = field(block="options", default=None)
     k33overk: bool = field(block="options", default=None)
-    tvk_filerecord: Optional[Path] = field(block="options", default=None)
+    tvk_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="filein"
+    )
     export_array_ascii: bool = field(block="options", default=False)
     export_array_netcdf: bool = field(block="options", default=False)
     dev_no_newton: bool = field(block="options", default=False)

flopy4/mf6/gwf/oc.py

@@ -8,7 +8,7 @@
 
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
-from flopy4.mf6.spec import array, field
+from flopy4.mf6.spec import array, field, path
 from flopy4.utils import to_path
 
 
@@ -35,20 +35,14 @@ class Period:
         rtype: str = field()
         steps: "Oc.Steps" = field()
 
-    budget_file: Optional[Path] = field(
-        block="options",
-        converter=to_path,
-        default=None,
+    budget_file: Optional[Path] = path(
+        block="options", converter=to_path, default=None, inout="fileout"
     )
-    budget_csv_file: Optional[Path] = field(
-        block="options",
-        converter=to_path,
-        default=None,
+    budget_csv_file: Optional[Path] = path(
+        block="options", converter=to_path, default=None, inout="fileout"
     )
-    head_file: Optional[Path] = field(
-        block="options",
-        converter=to_path,
-        default=None,
+    head_file: Optional[Path] = path(
+        block="options", converter=to_path, default=None, inout="fileout"
     )
     # TODO: needs coverter and then rename?
     head: Optional[Format] = field(block="options", default=None)

flopy4/mf6/gwf/rch.py

@@ -9,7 +9,8 @@
 from flopy4.mf6.component import update_maxbound
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
-from flopy4.mf6.spec import array, field
+from flopy4.mf6.spec import array, field, path
+from flopy4.utils import to_path
 
 
 @xattree
@@ -22,8 +23,12 @@ class Rch(Package):
     print_input: bool = field(block="options", default=False)
     print_flows: bool = field(block="options", default=False)
     save_flows: bool = field(block="options", default=False)
-    ts_filerecord: Optional[Path] = field(block="options", default=None)
-    obs_filerecord: Optional[Path] = field(block="options", default=None)
+    ts_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="filein"
+    )
+    obs_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
     maxbound: Optional[int] = field(block="dimensions", default=None, init=False)
     recharge: Optional[NDArray[np.float64]] = array(
         block="period",

flopy4/mf6/gwf/sto.py

@@ -8,15 +8,18 @@
 
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
-from flopy4.mf6.spec import array, field
+from flopy4.mf6.spec import array, field, path
+from flopy4.utils import to_path
 
 
 @xattree
 class Sto(Package):
     save_flows: bool = field(block="options", default=False)
     storagecoefficient: bool = field(block="options", default=False)
     ss_confined_only: bool = field(block="options", default=False)
-    tvs_filerecord: Optional[Path] = field(block="options", default=None)
+    tvs_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="filein"
+    )
     export_array_ascii: bool = field(block="options", default=False)
     export_array_netcdf: bool = field(block="options", default=False)
     dev_original_specific_storage: bool = field(block="options", default=False)

flopy4/mf6/gwf/wel.py

@@ -9,7 +9,8 @@
 from flopy4.mf6.component import update_maxbound
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
-from flopy4.mf6.spec import array, field
+from flopy4.mf6.spec import array, field, path
+from flopy4.utils import to_path
 
 
 @xattree
@@ -22,9 +23,15 @@ class Wel(Package):
     print_flows: bool = field(block="options", default=False)
     save_flows: bool = field(block="options", default=False)
     auto_flow_reduce: float = field(block="options", default=None)
-    afrcsv_filerecord: Optional[Path] = field(block="options", default=None)
-    ts_filerecord: Optional[Path] = field(block="options", default=None)
-    obs_filerecord: Optional[Path] = field(block="options", default=None)
+    afrcsv_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
+    ts_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="filein"
+    )
+    obs_filerecord: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
     mover: bool = field(block="options", default=False)
     maxbound: Optional[int] = field(block="dimensions", default=None, init=False)
     q: Optional[NDArray[np.float64]] = array(

flopy4/mf6/ims.py

@@ -4,7 +4,8 @@
 from xattree import xattree
 
 from flopy4.mf6.solution import Solution
-from flopy4.mf6.spec import field
+from flopy4.mf6.spec import field, path
+from flopy4.utils import to_path
 
 
 @xattree
@@ -13,14 +14,18 @@ class Ims(Solution):
 
     print_option: Optional[str] = field(block="options", default=None)
     complexity: str = field(block="options", default="simple")
-    csv_outer_output_file: Optional[Path] = field(default=None, block="options")
-    csv_inner_output_file: Optional[Path] = field(block="options", default=None)
-    no_ptc: bool = field(default=False, block="options")
-    no_ptc_option: Optional[str] = field(default=None, block="options")
+    csv_outer_output_file: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
+    csv_inner_output_file: Optional[Path] = path(
+        block="options", default=None, converter=to_path, inout="fileout"
+    )
+    no_ptc: bool = field(block="options", default=False)
+    no_ptc_option: Optional[str] = field(block="options", default=None)
     ats_outer_maximum_fraction: Optional[float] = field(block="options", default=None)
-    outer_dvclose: Optional[float] = field(default=None, block="nonlinear")
-    outer_maximum: Optional[int] = field(default=None, block="nonlinear")
-    under_relaxation: Optional[str] = field(default=None, block="nonlinear")
+    outer_dvclose: Optional[float] = field(block="nonlinear", default=None)
+    outer_maximum: Optional[int] = field(block="nonlinear", default=None)
+    under_relaxation: Optional[str] = field(block="nonlinear", default=None)
     under_relaxation_gamma: Optional[float] = field(block="nonlinear", default=None)
     under_relaxation_theta: Optional[float] = field(block="nonlinear", default=None)
     under_relaxation_kappa: Optional[float] = field(block="nonlinear", default=None)