misc (#219)

* update xattree and modify the array field decorator wrappers to accommodate a new dtype arg, this gives us more control over dtype than the type hint. the actual arg overrides the type hint, but the type hint is used if no arg is passed
* make `boundname` arrays on various components a fixed length string of length 40 (`LENBOUNDNAME`)
* devtools sorts blocks so no need to move options to top in converter
* switch oc arrays from object -> str dtype
* turn type checking off for now in vscode settings
* add pytest-cov as a test dependency
* leave some todo comments

Author: wpbonelli

.gitignore

@@ -8,3 +8,4 @@ venv/
 .pixi
 *.egg-info
 temp/
+.coverage

.vscode/settings.json

@@ -12,7 +12,8 @@
             "source.fixAll": "explicit"
         }
     },
-    "mypy-type-checker.importStrategy": "fromEnvironment",
+    "python.analysis.typeCheckingMode": "off",
+    "debugpy.debugJustMyCode": false,
     "files.exclude": {
         "**/.git": true,
         "**/.svn": true,

flopy4/mf6/constants.py

@@ -3,3 +3,4 @@
 MF6 = "mf6"
 FILL_DEFAULT = np.nan
 FILL_DNODATA = 1e30
+LENBOUNDNAME = 40

flopy4/mf6/converter.py

@@ -156,6 +156,7 @@ def unstructure_component(value: Component) -> dict[str, Any]:
                         for kper in range(field_value.sizes["nper"])
                     }
                 else:
+                    # TODO why not putting in block here but doing below? how does this even work
                     if np.issubdtype(field_value.dtype, np.str_):
                         period_data[field_name] = {
                             kper: field_value[kper] for kper in range(field_value.sizes["nper"])
@@ -187,11 +188,6 @@ def unstructure_component(value: Component) -> dict[str, Any]:
             dataset = xr.Dataset(block)
             blocks[f"{block_name} {kper + 1}"] = {block_name: dataset}
 
-    # make sure options block always comes first
-    if "options" in blocks:
-        options_block = blocks.pop("options")
-        blocks = {"options": options_block, **blocks}
-
     # total temporary hack! manually set solutiongroup 1. still need to support multiple..
     if "solutiongroup" in blocks:
         sg = blocks["solutiongroup"]

flopy4/mf6/gwf/chd.py

@@ -7,6 +7,7 @@
 from xattree import xattree
 
 from flopy4.mf6.component import update_maxbound
+from flopy4.mf6.constants import LENBOUNDNAME
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
 from flopy4.mf6.spec import array, field, path
@@ -51,6 +52,7 @@ class Chd(Package):
         on_setattr=update_maxbound,
     )
     boundname: Optional[NDArray[np.str_]] = array(
+        dtype=f"<U{LENBOUNDNAME}",
         block="period",
         dims=(
             "nper",

flopy4/mf6/gwf/dis.py

@@ -64,7 +64,7 @@ class Dis(Package):
         dims=("nlay", "nrow", "ncol"),
         converter=Converter(dict_to_array, takes_self=True, takes_field=True),
     )
-    idomain: Optional[NDArray[np.int32]] = array(
+    idomain: Optional[NDArray[np.int64]] = array(
         block="griddata",
         default=1,
         dims=("nlay", "nrow", "ncol"),

flopy4/mf6/gwf/drn.py

@@ -7,6 +7,7 @@
 from xattree import xattree
 
 from flopy4.mf6.component import update_maxbound
+from flopy4.mf6.constants import LENBOUNDNAME
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
 from flopy4.mf6.spec import array, field, path
@@ -57,6 +58,7 @@ class Drn(Package):
         on_setattr=update_maxbound,
     )
     boundname: Optional[NDArray[np.str_]] = array(
+        dtype=f"<U{LENBOUNDNAME}",
         block="period",
         dims=(
             "nper",

flopy4/mf6/gwf/npf.py

@@ -50,7 +50,7 @@ class Xt3dOptions:
     export_array_netcdf: bool = field(block="options", default=False)
     dev_no_newton: bool = field(block="options", default=False)
     dev_omega: Optional[float] = field(block="options", default=None)
-    icelltype: NDArray[np.integer] = array(
+    icelltype: NDArray[np.int64] = array(
         block="griddata",
         dims=("nodes",),
         default=0,

flopy4/mf6/gwf/oc.py

@@ -46,29 +46,29 @@ class Period:
     )
     # TODO: needs coverter and then rename?
     head: Optional[Format] = field(block="options", default=None)
-    save_head: Optional[NDArray[np.object_]] = array(
-        object,
+    save_head: Optional[NDArray[np.str_]] = array(
+        dtype=np.dtypes.StringDType(),
         block="period",
         default="all",
         dims=("nper",),
         converter=Converter(dict_to_array, takes_self=True, takes_field=True),
     )
-    save_budget: Optional[NDArray[np.object_]] = array(
-        object,
+    save_budget: Optional[NDArray[np.str_]] = array(
+        dtype=np.dtypes.StringDType(),
         block="period",
         default="all",
         dims=("nper",),
         converter=Converter(dict_to_array, takes_self=True, takes_field=True),
     )
-    print_head: Optional[NDArray[np.object_]] = array(
-        object,
+    print_head: Optional[NDArray[np.str_]] = array(
+        dtype=np.dtypes.StringDType(),
         block="period",
         default="all",
         dims=("nper",),
         converter=Converter(dict_to_array, takes_self=True, takes_field=True),
     )
-    print_budget: Optional[NDArray[np.object_]] = array(
-        object,
+    print_budget: Optional[NDArray[np.str_]] = array(
+        dtype=np.dtypes.StringDType(),
         block="period",
         default="all",
         dims=("nper",),

flopy4/mf6/gwf/rch.py

@@ -7,6 +7,7 @@
 from xattree import xattree
 
 from flopy4.mf6.component import update_maxbound
+from flopy4.mf6.constants import LENBOUNDNAME
 from flopy4.mf6.converter import dict_to_array
 from flopy4.mf6.package import Package
 from flopy4.mf6.spec import array, field, path
@@ -51,6 +52,7 @@ class Rch(Package):
         on_setattr=update_maxbound,
     )
     boundname: Optional[NDArray[np.str_]] = array(
+        dtype=f"<U{LENBOUNDNAME}",
         block="period",
         dims=(
             "nper",