diff --git a/docs/examples/circle.py b/docs/examples/circle.py index eb940c86..a8d66378 100644 --- a/docs/examples/circle.py +++ b/docs/examples/circle.py @@ -248,7 +248,7 @@ def plot_head_ugrid(head, cbc, workspace): outer_maximum=500, under_relaxation=None, inner_dvclose=1.0e-4, - inner_rclose=0.001, + rcloserecord=flopy4.mf6.Ims.Rclose(inner_rclose=0.001), inner_maximum=100, linear_acceleration="cg", reordering_method=None, diff --git a/docs/examples/frenchman-flat.py b/docs/examples/frenchman-flat.py index f56e4951..a478043d 100644 --- a/docs/examples/frenchman-flat.py +++ b/docs/examples/frenchman-flat.py @@ -719,7 +719,7 @@ def plot_head_ugrid(head, cbc, grid, workspace): under_relaxation_gamma=0.000000, under_relaxation_momentum=0.000000, inner_dvclose=0.00001, - inner_rclose=0.1, + rcloserecord=flopy4.mf6.Ims.Rclose(inner_rclose=0.1), inner_maximum=100, linear_acceleration="bicgstab", number_orthogonalizations=0, diff --git a/docs/examples/twri.py b/docs/examples/twri.py index 7784426b..e2825907 100644 --- a/docs/examples/twri.py +++ b/docs/examples/twri.py @@ -118,7 +118,7 @@ def plot_head(head, workspace): icelltype=icelltype, k=k, k33=k33, - cvoptions=flopy4.mf6.gwf.Npf.CvOptions(dewatered=True), + cvoptions=flopy4.mf6.gwf.Npf.Cvoptions(dewatered=True), perched=True, save_flows=True, dims=dims, @@ -199,7 +199,7 @@ def plot_head(head, workspace): outer_maximum=500, under_relaxation=None, inner_dvclose=1.0e-4, - inner_rclose=0.001, + rcloserecord=flopy4.mf6.Ims.Rclose(inner_rclose=0.001), inner_maximum=100, linear_acceleration="cg", scaling_method=None, diff --git a/flopy4/mf6/__init__.py b/flopy4/mf6/__init__.py index a146e1ab..e027d1b0 100644 --- a/flopy4/mf6/__init__.py +++ b/flopy4/mf6/__init__.py @@ -6,18 +6,35 @@ from tomli_w import dump as dump_toml # Import submodules to make them accessible via flopy4.mf6.* -from flopy4.mf6 import gwf, simulation, solution, utils +from flopy4.mf6 import gwe, gwf, gwt, prt, simulation, solution, utils from flopy4.mf6.codec import dump as dump_mf6 from flopy4.mf6.codec import load as load_mf6 from flopy4.mf6.component import Component from flopy4.mf6.converter import structure, unstructure +from flopy4.mf6.ems import Ems +from flopy4.mf6.exchange import GwfGwe, GwfGwt from flopy4.mf6.ims import Ims from flopy4.mf6.netcdf import NetCDFModel from flopy4.mf6.simulation import Simulation from flopy4.mf6.tdis import Tdis from flopy4.uio import DEFAULT_REGISTRY -__all__ = ["gwf", "simulation", "solution", "utils", "Ims", "NetCDFModel", "Tdis", "Simulation"] +__all__ = [ + "gwf", + "gwt", + "gwe", + "prt", + "simulation", + "solution", + "utils", + "Ems", + "GwfGwe", + "GwfGwt", + "Ims", + "NetCDFModel", + "Tdis", + "Simulation", +] class WriteError(Exception): diff --git a/flopy4/mf6/binding.py b/flopy4/mf6/binding.py index e84009df..60d873f6 100644 --- a/flopy4/mf6/binding.py +++ b/flopy4/mf6/binding.py @@ -29,7 +29,7 @@ def from_component(cls, component: Component) -> "Binding": def _get_binding_type(component: Component) -> str: cls_name = component.__class__.__name__ if isinstance(component, Exchange): - return f"{'-'.join([cls_name[:2], cls_name[3:]]).upper()}6" + return f"{cls_name[:3].upper()}6-{cls_name[3:].upper()}6" elif isinstance(component, Solution): return f"{component.slntype}6" else: diff --git a/flopy4/mf6/component.py b/flopy4/mf6/component.py index 1bde983d..1b3752dd 100644 --- a/flopy4/mf6/component.py +++ b/flopy4/mf6/component.py @@ -95,7 +95,14 @@ def _update_maxbound_if_needed(self): @classmethod def __attrs_init_subclass__(cls): - COMPONENTS[cls.__name__.lower()] = cls + key = cls.__name__.lower() + COMPONENTS[key] = cls + # Also register a model-qualified key (e.g. "gwf-ic") for classes in a + # model subpackage (flopy4.mf6..), giving deterministic + # per-model lookup when multiple models share a class name like "ic". + parts = cls.__module__.split(".") + if len(parts) >= 4 and parts[0] == "flopy4" and parts[1] == "mf6": + COMPONENTS[f"{parts[2]}-{key}"] = cls def __getitem__(self, key): # We use `children` from `xattree` to implement MutableMapping. diff --git a/flopy4/mf6/converter/egress/unstructure.py b/flopy4/mf6/converter/egress/unstructure.py index 874cc4c6..c69d3b54 100644 --- a/flopy4/mf6/converter/egress/unstructure.py +++ b/flopy4/mf6/converter/egress/unstructure.py @@ -1,8 +1,9 @@ from collections.abc import Iterable, Mapping from datetime import datetime from pathlib import Path -from typing import Any +from typing import Any, cast +import attrs import numpy as np import xarray as xr import xattree @@ -18,7 +19,9 @@ def _path_to_tuple(name: str, value: Path, inout: FileInOut) -> tuple[str, ...]: t = [name.upper()] - if name.endswith("_file"): + if name.endswith("_filerecord"): + t[0] = name.replace("_filerecord", "").upper() + elif name.endswith("_file"): t[0] = name.replace("_file", "").upper() if inout: t.append(inout.upper()) @@ -184,6 +187,31 @@ def _unstructure_block_param( if child_spec.metadata["block"] == block_name: # type: ignore return + # xattree.asdict converts inner-class attrs instances (like Rclose) to + # plain dicts before this function sees them. Check the raw component attribute + # first so the attrs match case can fire on the real object. + raw_value = getattr(value, field_name, None) + cls = type(raw_value) + if attrs.has(cls) and "_keyword" in vars(cls): + # Generated inner class record: convert to keyword-prefixed tuple. + # _keyword is "" for records with no leading trigger token (e.g. rcloserecord). + keyword: str = vars(cls)["_keyword"] + tokens: list[Any] = [keyword.upper()] if keyword else [] + for a in attrs.fields(cast(type[attrs.AttrsInstance], cls)): + val = getattr(raw_value, a.name) + if val is None: + continue + if a.metadata.get("tagged", False): + tokens.append(a.name.upper()) + tokens.append(val) + elif isinstance(val, bool): + if val: + tokens.append(a.name.upper()) + else: + tokens.append(val) + blocks[block_name][field_name] = tuple(tokens) + return + # filter out empty values and false keywords, and convert: # - paths to records # - datetimes to ISO format @@ -209,7 +237,8 @@ def _unstructure_block_param( case t if ( field_name == "auxiliary" and hasattr(field_value, "values") and field_value is not None ): - blocks[block_name][field_name] = tuple(field_value.values.tolist()) + # MF6 OPTIONS format requires the keyword "AUXILIARY" before the variable names. + blocks[block_name][field_name] = ("AUXILIARY",) + tuple(field_value.values.tolist()) case xr.DataArray(): has_spatial_dims = any( dim in field_value.dims for dim in ["nlay", "nrow", "ncol", "ncpl", "nodes"] @@ -220,15 +249,24 @@ def _unstructure_block_param( structured_grid_dims=value.data.dims, # type: ignore ) if "nper" in field_value.dims and block_name == "period": - if not np.issubdtype(field_value.dtype, np.number): - dat = _hack_period_non_numeric(field_name, field_value) - for n, v in dat.items(): - period_data[n] = v - else: + is_tabular = ( + np.issubdtype(field_value.dtype, np.number) + or np.issubdtype(field_value.dtype, np.str_) + or ( + field_value.dtype == object + and field_value.size > 0 + and isinstance(field_value.values.flat[0], str) + ) + ) + if is_tabular: period_data[field_name] = { kper: field_value.isel(nper=kper) # type: ignore for kper in range(field_value.sizes["nper"]) } + else: + dat = _hack_period_non_numeric(field_name, field_value) + for n, v in dat.items(): + period_data[n] = v else: blocks[block_name][field_name] = field_value case _: @@ -286,6 +324,18 @@ def _unstructure_array_component(value: Component) -> dict[str, Any]: return {name: block for name, block in blocks.items() if name != "period"} +# Block names that MF6 rejects if present but empty. +# These blocks should only be written when they contain data. +_SKIP_IF_EMPTY = frozenset({"dimensions", "tracktimes"}) + +# Block names whose fields are list columns (one array per column, same dim) +# rather than independent grid arrays. Only these blocks are auto-combined +# into an xr.Dataset for row-per-record output. griddata-style blocks must +# NOT be in this set — their fields are written individually with +# INTERNAL/CONSTANT/NETCDF format. +_LIST_BLOCK_NAMES = frozenset({"packagedata", "packages", "perioddata", "table"}) + + def _unstructure_component(value: Component) -> dict[str, Any]: blockspec = blocks_dict(type(value)) blocks: dict[str, dict[str, Any]] = {} @@ -343,11 +393,6 @@ def _unstructure_component(value: Component) -> dict[str, Any]: block, coords=block[arr_name].coords ) - # combine "perioddata" block arrays (tdis, ats) into datasets - # so they render as lists. temp hack TODO do this generically - if perioddata := blocks.get("perioddata", None): - blocks["perioddata"] = {"perioddata": xr.Dataset(perioddata)} - if vertices := blocks.get("vertices", None): # TODO comes twice once with "vertices" key and once with dataarrays if "vertices" in vertices: @@ -356,8 +401,18 @@ def _unstructure_component(value: Component) -> dict[str, Any]: vertices["iv"] = vertices["iv"] + 1 blocks["vertices"] = {"vertices": xr.Dataset(vertices)} - # TODO: this fixes out of order blocks (e.g. model namefile) from - # blocks.update() child binding call above + # Combine list-style blocks into a Dataset for row-per-record output. + # Only applies to known list block names — griddata-style blocks (each + # field a separate array) must NOT be combined. + if block_name in _LIST_BLOCK_NAMES: + current_block = blocks.get(block_name, {}) + if current_block: + das = [v for v in current_block.values() if isinstance(v, xr.DataArray)] + if das and len(das) == len(current_block): + first_dim = das[0].dims[0] if das[0].dims else None + if first_dim and all(da.dims and da.dims[0] == first_dim for da in das): + blocks[block_name] = {block_name: xr.Dataset(current_block)} + blocks = dict(sorted(blocks.items(), key=block_sort_key)) # total temporary hack! manually set solutiongroup 1. @@ -367,4 +422,8 @@ def _unstructure_component(value: Component) -> dict[str, Any]: blocks["solutiongroup 1"] = sg del blocks["solutiongroup"] - return {name: block for name, block in blocks.items() if name != "period"} + return { + name: block + for name, block in blocks.items() + if name != "period" and (block or name not in _SKIP_IF_EMPTY) + } diff --git a/flopy4/mf6/ems.py b/flopy4/mf6/ems.py new file mode 100644 index 00000000..995a617c --- /dev/null +++ b/flopy4/mf6/ems.py @@ -0,0 +1,12 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import ClassVar + +from xattree import xattree + +from flopy4.mf6.solution import Solution + + +@xattree(kw_only=True) +class Ems(Solution): + slntype: ClassVar[str] = "ems" diff --git a/flopy4/mf6/exchange.py b/flopy4/mf6/exchange.py index ca0ccb57..7f4636d2 100644 --- a/flopy4/mf6/exchange.py +++ b/flopy4/mf6/exchange.py @@ -9,9 +9,20 @@ @xattree class Exchange(Package, ABC): - # mypy doesn't understand that kw_only=True on the - # Component means we can have required fields here - exgtype: type = field() # type: ignore - exgfile: Path = field() # type: ignore + exgtype: Optional[type] = field(default=None) # type: ignore + exgfile: Optional[Path] = field(default=None) # type: ignore exgmnamea: Optional[str] = field(default=None) exgmnameb: Optional[str] = field(default=None) + + def default_filename(self) -> str: + return f"{self.name}.exg" # type: ignore + + +@xattree +class GwfGwt(Exchange): + """GWF-GWT flow-transport exchange (declares coupling in mfsim.nam).""" + + +@xattree +class GwfGwe(Exchange): + """GWF-GWE flow-energy exchange (declares coupling in mfsim.nam).""" diff --git a/flopy4/mf6/exg/__init__.py b/flopy4/mf6/exg/__init__.py new file mode 100644 index 00000000..e63c521a --- /dev/null +++ b/flopy4/mf6/exg/__init__.py @@ -0,0 +1,9 @@ +from flopy4.mf6.exg.gwfgwe import Gwfgwe +from flopy4.mf6.exg.gwfgwt import Gwfgwt +from flopy4.mf6.exg.gwfprt import Gwfprt + +__all__ = [ + "Gwfgwe", + "Gwfgwt", + "Gwfprt", +] diff --git a/flopy4/mf6/exg/gwfgwe.py b/flopy4/mf6/exg/gwfgwe.py new file mode 100644 index 00000000..0f468178 --- /dev/null +++ b/flopy4/mf6/exg/gwfgwe.py @@ -0,0 +1,10 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from xattree import xattree + +from flopy4.mf6.package import Package + + +@xattree(kw_only=True) +class Gwfgwe(Package): + pass diff --git a/flopy4/mf6/exg/gwfgwt.py b/flopy4/mf6/exg/gwfgwt.py new file mode 100644 index 00000000..9fcae296 --- /dev/null +++ b/flopy4/mf6/exg/gwfgwt.py @@ -0,0 +1,10 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from xattree import xattree + +from flopy4.mf6.package import Package + + +@xattree(kw_only=True) +class Gwfgwt(Package): + pass diff --git a/flopy4/mf6/exg/gwfprt.py b/flopy4/mf6/exg/gwfprt.py new file mode 100644 index 00000000..581fe949 --- /dev/null +++ b/flopy4/mf6/exg/gwfprt.py @@ -0,0 +1,10 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from xattree import xattree + +from flopy4.mf6.package import Package + + +@xattree(kw_only=True) +class Gwfprt(Package): + pass diff --git a/flopy4/mf6/gwe/__init__.py b/flopy4/mf6/gwe/__init__.py new file mode 100644 index 00000000..1d01a632 --- /dev/null +++ b/flopy4/mf6/gwe/__init__.py @@ -0,0 +1,46 @@ +from typing import Optional + +from xattree import xattree + +from flopy4.mf6.gwe.adv import Adv +from flopy4.mf6.gwe.cnd import Cnd +from flopy4.mf6.gwe.ctp import Ctp +from flopy4.mf6.gwe.dis import Dis +from flopy4.mf6.gwe.esl import Esl +from flopy4.mf6.gwe.est import Est +from flopy4.mf6.gwe.ic import Ic +from flopy4.mf6.gwe.mve import Mve +from flopy4.mf6.gwe.ssm import Ssm +from flopy4.mf6.model import Model +from flopy4.mf6.spec import field + +__all__ = [ + "Gwe", + "Dis", + "Adv", + "Cnd", + "Ctp", + "Esl", + "Est", + "Ic", + "Mve", + "Ssm", +] + + +@xattree +class Gwe(Model): + list_: Optional[str] = field(block="options", default=None) + print_input: bool = field(block="options", default=False) + print_flows: bool = field(block="options", default=False) + save_flows: bool = field(block="options", default=False) + dependent_variable_scaling: bool = field(block="options", default=False) + dis: Dis | None = field(block="packages", default=None) + ic: Ic | None = field(block="packages", default=None) + adv: Adv | None = field(block="packages", default=None) + cnd: Cnd | None = field(block="packages", default=None) + est: Est | None = field(block="packages", default=None) + ctp: list[Ctp] = field(block="packages") + esl: list[Esl] = field(block="packages") + ssm: Ssm | None = field(block="packages", default=None) + mve: Mve | None = field(block="packages", default=None) diff --git a/flopy4/mf6/gwe/adv.py b/flopy4/mf6/gwe/adv.py new file mode 100644 index 00000000..96cb4daf --- /dev/null +++ b/flopy4/mf6/gwe/adv.py @@ -0,0 +1,18 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import Optional + +from xattree import xattree + +from flopy4.mf6.package import Package +from flopy4.mf6.spec import field + + +@xattree(kw_only=True) +class Adv(Package): + scheme: Optional[str] = field(block="options", default=None, longname="advective scheme") + ats_percel: Optional[float] = field( + block="options", + default=None, + longname="fractional cell distance used for time step calculation", + ) diff --git a/flopy4/mf6/gwe/cnd.py b/flopy4/mf6/gwe/cnd.py new file mode 100644 index 00000000..1f94357d --- /dev/null +++ b/flopy4/mf6/gwe/cnd.py @@ -0,0 +1,80 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field + + +@xattree(kw_only=True) +class Cnd(Package): + xt3d_off: bool = field(block="options", default=False, longname="deactivate xt3d") + xt3d_rhs: bool = field(block="options", default=False, longname="xt3d on right-hand side") + export_array_ascii: bool = field( + block="options", default=False, longname="export array variables to layered ascii files." + ) + export_array_netcdf: bool = field( + block="options", default=False, longname="export array variables to netcdf output files." + ) + alh: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="longitudinal dispersivity in horizontal direction", + ) + alv: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="longitudinal dispersivity in vertical direction", + ) + ath1: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="transverse dispersivity in horizontal direction", + ) + ath2: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="transverse dispersivity in horizontal direction", + ) + atv: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="transverse dispersivity when flow is in vertical direction", + ) + ktw: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="thermal conductivity of the simulated fluid", + ) + kts: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="thermal conductivity of the aquifer material", + ) diff --git a/flopy4/mf6/gwe/ctp.py b/flopy4/mf6/gwe/ctp.py new file mode 100644 index 00000000..78a6314c --- /dev/null +++ b/flopy4/mf6/gwe/ctp.py @@ -0,0 +1,75 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import ClassVar, Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.constants import LENBOUNDNAME +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field, path +from flopy4.mf6.utils.grid import update_maxbound +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Ctp(Package): + multi_package: ClassVar[bool] = True + + auxiliary: Optional[list[str]] = array( + block="options", default=None, longname="keyword to specify aux variables" + ) + auxmultname: Optional[str] = field( + block="options", default=None, longname="name of auxiliary variable for multiplier" + ) + boundnames: bool = field(block="options", default=False) + print_input: bool = field( + block="options", default=False, longname="print input to listing file" + ) + print_flows: bool = field( + block="options", default=False, longname="print calculated flows to listing file" + ) + save_flows: bool = field( + block="options", default=False, longname="save constant temperature flows to budget file" + ) + 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="filein" + ) + maxbound: Optional[int] = field( + block="dimensions", + default=None, + init=False, + longname="maximum number of constant temperatures", + ) + temp: Optional[NDArray[np.float64]] = array( + block="period", + dims=("nper", "nodes"), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + on_setattr=update_maxbound, + longname="constant temperature value", + ) + aux: Optional[NDArray[np.float64]] = array( + block="period", + dims=("nper", "nodes"), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + on_setattr=update_maxbound, + longname="auxiliary variables", + ) + boundname: Optional[NDArray[np.str_]] = array( + dtype=f" dict[str, int]: + return { + "nlay": self.nlay, + "nrow": self.nrow, + "ncol": self.ncol, + "nodes": self.nlay * self.nrow * self.ncol, + "ncpl": self.nrow * self.ncol, + } + + def to_grid(self) -> StructuredGrid: + return StructuredGrid( + length_units=self.length_units, + xoff=self.xorigin, + yoff=self.yorigin, + nlay=self.nlay, + nrow=self.nrow, + ncol=self.ncol, + delr=self.delr.values, # type: ignore + delc=self.delc.values, # type: ignore + top=self.top.values, # type: ignore + botm=self.botm.values, # type: ignore + idomain=self.idomain.values, # type: ignore + crs=self.crs, + ) + + @classmethod + def from_grid(cls, grid: StructuredGrid) -> "Dis": + kwargs = { + "xorigin": grid.xoffset, + "yorigin": grid.yoffset, + "nlay": grid.nlay, + "nrow": grid.nrow, + "ncol": grid.ncol, + "delr": grid.delr, + "delc": grid.delc, + "top": grid.top, + "botm": grid.botm, + "idomain": grid.idomain, + } + if grid.crs is not None: + kwargs["crs"] = f"EPSG:{grid.crs.to_epsg()}" + return Dis(**kwargs) diff --git a/flopy4/mf6/gwe/esl.py b/flopy4/mf6/gwe/esl.py new file mode 100644 index 00000000..4ee3ec6a --- /dev/null +++ b/flopy4/mf6/gwe/esl.py @@ -0,0 +1,72 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import ClassVar, Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.constants import LENBOUNDNAME +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field, path +from flopy4.mf6.utils.grid import update_maxbound +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Esl(Package): + multi_package: ClassVar[bool] = True + + auxiliary: Optional[list[str]] = array( + block="options", default=None, longname="keyword to specify aux variables" + ) + auxmultname: Optional[str] = field( + block="options", default=None, longname="name of auxiliary variable for multiplier" + ) + boundnames: bool = field(block="options", default=False) + print_input: bool = field( + block="options", default=False, longname="print input to listing file" + ) + print_flows: bool = field( + block="options", default=False, longname="print calculated flows to listing file" + ) + save_flows: bool = field( + block="options", default=False, longname="save esl flows to budget file" + ) + 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="filein" + ) + maxbound: Optional[int] = field( + block="dimensions", default=None, init=False, longname="maximum number of sources" + ) + senerrate: Optional[NDArray[np.float64]] = array( + block="period", + dims=("nper", "nodes"), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + on_setattr=update_maxbound, + longname="energy source loading rate", + ) + aux: Optional[NDArray[np.float64]] = array( + block="period", + dims=("nper", "nodes"), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + on_setattr=update_maxbound, + longname="auxiliary variables", + ) + boundname: Optional[NDArray[np.str_]] = array( + dtype=f" xr.Dataset | xu.UgridDataset: oc: Oc | None = field(block="packages", default=None) npf: Npf | None = field(block="packages", default=None) sto: Sto | None = field(block="packages", default=None) + buy: Buy | None = field(block="packages", default=None) chd: list[Union[Chd, Chdg]] = field(block="packages") drn: list[Union[Drn, Drng]] = field(block="packages") - evt: list[Union[Evta]] = field(block="packages") - ghb: list[Union[Ghb]] = field(block="packages") + evt: list[Union[Evt, Evta]] = field(block="packages") + ghb: list[Union[Ghb, Ghbg]] = field(block="packages") rch: list[Union[Rch, Rcha]] = field(block="packages") + riv: list[Union[Riv, Rivg]] = field(block="packages") + mvr: Mvr | None = field(block="packages", default=None) + vsc: Vsc | None = field(block="packages", default=None) wel: list[Union[Wel, Welg]] = field(block="packages") output: Output = attrs.field( default=attrs.Factory(lambda self: Gwf.Output(self), takes_self=True) diff --git a/flopy4/mf6/gwf/api.py b/flopy4/mf6/gwf/api.py new file mode 100644 index 00000000..3051ae05 --- /dev/null +++ b/flopy4/mf6/gwf/api.py @@ -0,0 +1,36 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import ClassVar, Optional + +from xattree import xattree + +from flopy4.mf6.package import Package +from flopy4.mf6.spec import field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Api(Package): + multi_package: ClassVar[bool] = True + + boundnames: bool = field(block="options", default=False) + print_input: bool = field( + block="options", default=False, longname="print input to listing file" + ) + print_flows: bool = field( + block="options", default=False, longname="print calculated flows to listing file" + ) + save_flows: bool = field( + block="options", default=False, longname="save api flows to budget file" + ) + obs_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="filein" + ) + mover: bool = field(block="options", default=False) + maxbound: Optional[int] = field( + block="dimensions", + default=None, + init=False, + longname="maximum number of user-defined api boundaries", + ) diff --git a/flopy4/mf6/gwf/buy.py b/flopy4/mf6/gwf/buy.py new file mode 100644 index 00000000..79e68080 --- /dev/null +++ b/flopy4/mf6/gwf/buy.py @@ -0,0 +1,69 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, dim, field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Buy(Package): + hhformulation_rhs: bool = field( + block="options", default=False, longname="hh formulation on right-hand side" + ) + denseref: Optional[float] = field(block="options", default=None, longname="reference density") + density_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + dev_efh_formulation: bool = field( + block="options", default=False, longname="use equivalent freshwater head formulation" + ) + nrhospecies: Optional[int] = dim( + block="dimensions", + coord=False, + default=None, + longname="number of species used in density equation of state", + ) + irhospec: Optional[NDArray[np.int64]] = array( + block="packagedata", + dims=("nrhospecies",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="species number for this entry", + ) + drhodc: Optional[NDArray[np.float64]] = array( + block="packagedata", + dims=("nrhospecies",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="slope of the density-concentration line", + ) + crhoref: Optional[NDArray[np.float64]] = array( + block="packagedata", + dims=("nrhospecies",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="reference concentration value", + ) + modelname: Optional[NDArray[np.object_]] = array( + block="packagedata", + dims=("nrhospecies",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="modelname", + ) + auxspeciesname: Optional[NDArray[np.object_]] = array( + block="packagedata", + dims=("nrhospecies",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="auxspeciesname", + ) diff --git a/flopy4/mf6/gwf/chd.py b/flopy4/mf6/gwf/chd.py index f8069fa7..1a878e0b 100644 --- a/flopy4/mf6/gwf/chd.py +++ b/flopy4/mf6/gwf/chd.py @@ -1,3 +1,5 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 from pathlib import Path from typing import ClassVar, Optional @@ -14,50 +16,41 @@ from flopy4.utils import to_path -@xattree +@xattree(kw_only=True) class Chd(Package): multi_package: ClassVar[bool] = True - maxbound: Optional[int] = field( - default=None, - init=False, - block="dimensions", - longname="maximum number of constant heads", - ) - auxiliary: Optional[list[str]] = array( block="options", default=None, longname="keyword to specify aux variables" ) auxmultname: Optional[str] = field( - block="options", - default=None, - longname="name of auxiliary variable for multiplier", + block="options", default=None, longname="name of auxiliary variable for multiplier" ) boundnames: bool = field(block="options", default=False) print_input: bool = field( block="options", default=False, longname="print input to listing file" ) print_flows: bool = field( - block="options", default=False, longname="print CHD flows to listing file" + block="options", default=False, longname="print chd flows to listing file" ) save_flows: bool = field( - block="options", default=False, longname="save CHD flows to budget file" + block="options", default=False, longname="save chd flows to budget file" ) 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" + block="options", default=None, converter=to_path, inout="filein" ) dev_no_newton: bool = field( - default=False, block="options", longname="turn off Newton for unconfined cells" + block="options", default=False, longname="turn off newton for unconfined cells" + ) + maxbound: Optional[int] = field( + block="dimensions", default=None, init=False, longname="maximum number of constant heads" ) head: Optional[NDArray[np.float64]] = array( block="period", - dims=( - "nper", - "nodes", - ), + dims=("nper", "nodes"), default=None, converter=Converter(structure_array, takes_self=True, takes_field=True), on_setattr=update_maxbound, @@ -65,10 +58,7 @@ class Chd(Package): ) aux: Optional[NDArray[np.float64]] = array( block="period", - dims=( - "nper", - "nodes", - ), + dims=("nper", "nodes"), default=None, converter=Converter(structure_array, takes_self=True, takes_field=True), on_setattr=update_maxbound, @@ -77,10 +67,7 @@ class Chd(Package): boundname: Optional[NDArray[np.str_]] = array( dtype=f" dict[str, int]: + return { + "nlay": self.nlay, + "nrow": self.nrow, + "ncol": self.ncol, + "nodes": self.nlay * self.nrow * self.ncol, + "ncpl": self.nrow * self.ncol, + } + + def to_grid(self) -> StructuredGrid: + return StructuredGrid( + length_units=self.length_units, + xoff=self.xorigin, + yoff=self.yorigin, + nlay=self.nlay, + nrow=self.nrow, + ncol=self.ncol, + delr=self.delr.values, # type: ignore + delc=self.delc.values, # type: ignore + top=self.top.values, # type: ignore + botm=self.botm.values, # type: ignore + idomain=self.idomain.values, # type: ignore + crs=self.crs, + ) + + @classmethod + def from_grid(cls, grid: StructuredGrid) -> "Dis": + kwargs = { + "xorigin": grid.xoffset, + "yorigin": grid.yoffset, + "nlay": grid.nlay, + "nrow": grid.nrow, + "ncol": grid.ncol, + "delr": grid.delr, + "delc": grid.delc, + "top": grid.top, + "botm": grid.botm, + "idomain": grid.idomain, + } + if grid.crs is not None: + kwargs["crs"] = f"EPSG:{grid.crs.to_epsg()}" + return Dis(**kwargs) diff --git a/flopy4/mf6/gwt/dsp.py b/flopy4/mf6/gwt/dsp.py new file mode 100644 index 00000000..b8315863 --- /dev/null +++ b/flopy4/mf6/gwt/dsp.py @@ -0,0 +1,72 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field + + +@xattree(kw_only=True) +class Dsp(Package): + xt3d_off: bool = field(block="options", default=False, longname="deactivate xt3d") + xt3d_rhs: bool = field(block="options", default=False, longname="xt3d on right-hand side") + export_array_ascii: bool = field( + block="options", default=False, longname="export array variables to layered ascii files." + ) + export_array_netcdf: bool = field( + block="options", default=False, longname="export array variables to netcdf output files." + ) + diffc: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="effective molecular diffusion coefficient", + ) + alh: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="longitudinal dispersivity in horizontal direction", + ) + alv: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="longitudinal dispersivity in vertical direction", + ) + ath1: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="transverse dispersivity in horizontal direction", + ) + ath2: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="transverse dispersivity in horizontal direction", + ) + atv: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="transverse dispersivity when flow is in vertical direction", + ) diff --git a/flopy4/mf6/gwt/ic.py b/flopy4/mf6/gwt/ic.py new file mode 100644 index 00000000..57d36e4e --- /dev/null +++ b/flopy4/mf6/gwt/ic.py @@ -0,0 +1,28 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field + + +@xattree(kw_only=True) +class Ic(Package): + export_array_ascii: bool = field( + block="options", default=False, longname="export array variables to layered ascii files." + ) + export_array_netcdf: bool = field( + block="options", default=False, longname="export array variables to netcdf output files." + ) + strt: NDArray[np.float64] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="starting concentration", + ) diff --git a/flopy4/mf6/gwt/ist.py b/flopy4/mf6/gwt/ist.py new file mode 100644 index 00000000..ba9cea15 --- /dev/null +++ b/flopy4/mf6/gwt/ist.py @@ -0,0 +1,119 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import ClassVar, Optional + +import attrs +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Ist(Package): + multi_package: ClassVar[bool] = True + + @attrs.define + class Cimprint: + _keyword: ClassVar[str] = "cim" + print_format: bool = attrs.field(metadata={"tagged": True}) + + save_flows: bool = field( + block="options", default=False, longname="save calculated flows to budget file" + ) + budget_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + budgetcsv_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + sorption: Optional[str] = field(block="options", default=None, longname="activate sorption") + first_order_decay: bool = field( + block="options", default=False, longname="activate first-order decay" + ) + zero_order_decay: bool = field( + block="options", default=False, longname="activate zero-order decay" + ) + cim_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + cimprintrecord: Optional[Cimprint] = field(block="options", default=None) + sorbate_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + export_array_ascii: bool = field( + block="options", default=False, longname="export array variables to layered ascii files." + ) + export_array_netcdf: bool = field( + block="options", default=False, longname="export array variables to netcdf output files." + ) + porosity: NDArray[np.float64] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="porosity of the immobile domain", + ) + volfrac: NDArray[np.float64] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="volume fraction of this immobile domain", + ) + zetaim: NDArray[np.float64] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="mass transfer rate coefficient between the mobile and immobile domains", + ) + decay: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="first rate coefficient", + ) + decay_sorbed: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="second rate coefficient", + ) + bulk_density: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="bulk density", + ) + distcoef: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="distribution coefficient", + ) + sp2: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="second sorption parameter", + ) diff --git a/flopy4/mf6/gwt/mst.py b/flopy4/mf6/gwt/mst.py new file mode 100644 index 00000000..0ae5283a --- /dev/null +++ b/flopy4/mf6/gwt/mst.py @@ -0,0 +1,85 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Mst(Package): + save_flows: bool = field( + block="options", default=False, longname="save calculated flows to budget file" + ) + first_order_decay: bool = field( + block="options", default=False, longname="activate first-order decay" + ) + zero_order_decay: bool = field( + block="options", default=False, longname="activate zero-order decay" + ) + sorption: Optional[str] = field(block="options", default=None, longname="activate sorption") + sorbate_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + export_array_ascii: bool = field( + block="options", default=False, longname="export array variables to layered ascii files." + ) + export_array_netcdf: bool = field( + block="options", default=False, longname="export array variables to netcdf output files." + ) + porosity: NDArray[np.float64] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="porosity", + ) + decay: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="aqueous phase decay rate coefficient", + ) + decay_sorbed: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="sorbed phase decay rate coefficient", + ) + bulk_density: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="bulk density", + ) + distcoef: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="distribution coefficient", + ) + sp2: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + netcdf=True, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="second sorption parameter", + ) diff --git a/flopy4/mf6/gwt/mvt.py b/flopy4/mf6/gwt/mvt.py new file mode 100644 index 00000000..9ab1a5ec --- /dev/null +++ b/flopy4/mf6/gwt/mvt.py @@ -0,0 +1,29 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import Optional + +from xattree import xattree + +from flopy4.mf6.package import Package +from flopy4.mf6.spec import field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Mvt(Package): + print_input: bool = field( + block="options", default=False, longname="print input to listing file" + ) + print_flows: bool = field( + block="options", default=False, longname="print calculated flows to listing file" + ) + save_flows: bool = field( + block="options", default=False, longname="save mvt flows to budget file" + ) + budget_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + budgetcsv_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) diff --git a/flopy4/mf6/gwt/src.py b/flopy4/mf6/gwt/src.py new file mode 100644 index 00000000..7497fdc2 --- /dev/null +++ b/flopy4/mf6/gwt/src.py @@ -0,0 +1,75 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import ClassVar, Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.constants import LENBOUNDNAME +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field, path +from flopy4.mf6.utils.grid import update_maxbound +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Src(Package): + multi_package: ClassVar[bool] = True + + auxiliary: Optional[list[str]] = array( + block="options", default=None, longname="keyword to specify aux variables" + ) + auxmultname: Optional[str] = field( + block="options", default=None, longname="name of auxiliary variable for multiplier" + ) + boundnames: bool = field(block="options", default=False) + print_input: bool = field( + block="options", default=False, longname="print input to listing file" + ) + print_flows: bool = field( + block="options", default=False, longname="print calculated flows to listing file" + ) + save_flows: bool = field( + block="options", default=False, longname="save src flows to budget file" + ) + 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="filein" + ) + highest_saturated: bool = field( + block="options", default=False, longname="apply source to highest saturated cell" + ) + maxbound: Optional[int] = field( + block="dimensions", default=None, init=False, longname="maximum number of sources" + ) + smassrate: Optional[NDArray[np.float64]] = array( + block="period", + dims=("nper", "nodes"), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + on_setattr=update_maxbound, + longname="mass source loading rate", + ) + aux: Optional[NDArray[np.float64]] = array( + block="period", + dims=("nper", "nodes"), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + on_setattr=update_maxbound, + longname="auxiliary variables", + ) + boundname: Optional[NDArray[np.str_]] = array( + dtype=f" dict[str, int]: + return { + "nlay": self.nlay, + "nrow": self.nrow, + "ncol": self.ncol, + "nodes": self.nlay * self.nrow * self.ncol, + "ncpl": self.nrow * self.ncol, + } + + def to_grid(self) -> StructuredGrid: + return StructuredGrid( + length_units=self.length_units, + xoff=self.xorigin, + yoff=self.yorigin, + nlay=self.nlay, + nrow=self.nrow, + ncol=self.ncol, + delr=self.delr.values, # type: ignore + delc=self.delc.values, # type: ignore + top=self.top.values, # type: ignore + botm=self.botm.values, # type: ignore + idomain=self.idomain.values, # type: ignore + crs=self.crs, + ) + + @classmethod + def from_grid(cls, grid: StructuredGrid) -> "Dis": + kwargs = { + "xorigin": grid.xoffset, + "yorigin": grid.yoffset, + "nlay": grid.nlay, + "nrow": grid.nrow, + "ncol": grid.ncol, + "delr": grid.delr, + "delc": grid.delc, + "top": grid.top, + "botm": grid.botm, + "idomain": grid.idomain, + } + if grid.crs is not None: + kwargs["crs"] = f"EPSG:{grid.crs.to_epsg()}" + return Dis(**kwargs) diff --git a/flopy4/mf6/prt/fmi.py b/flopy4/mf6/prt/fmi.py new file mode 100644 index 00000000..27b8aa51 --- /dev/null +++ b/flopy4/mf6/prt/fmi.py @@ -0,0 +1,24 @@ +from pathlib import Path +from typing import Optional + +from xattree import xattree + +from flopy4.mf6.package import Package +from flopy4.mf6.spec import field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Fmi(Package): + save_flows: bool = field( + block="options", default=False, longname="save cell-by-cell flows to budget file" + ) + gwfhead: Optional[Path] = path( + block="packagedata", default=None, converter=to_path, inout="filein" + ) + gwfbudget: Optional[Path] = path( + block="packagedata", default=None, converter=to_path, inout="filein" + ) + gwfspdis: Optional[Path] = path( + block="packagedata", default=None, converter=to_path, inout="filein" + ) diff --git a/flopy4/mf6/prt/mip.py b/flopy4/mf6/prt/mip.py new file mode 100644 index 00000000..8da2fc79 --- /dev/null +++ b/flopy4/mf6/prt/mip.py @@ -0,0 +1,40 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field + + +@xattree(kw_only=True) +class Mip(Package): + export_array_ascii: bool = field( + block="options", default=False, longname="export array variables to layered ascii files." + ) + porosity: NDArray[np.float64] = array( + block="griddata", + dims=("nodes",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="porosity", + ) + retfactor: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("nodes",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="retardation factor", + ) + izone: Optional[NDArray[np.int64]] = array( + block="griddata", + dims=("nodes",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="zone number", + ) diff --git a/flopy4/mf6/prt/oc.py b/flopy4/mf6/prt/oc.py new file mode 100644 index 00000000..0e5e6ecc --- /dev/null +++ b/flopy4/mf6/prt/oc.py @@ -0,0 +1,70 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import ClassVar, Optional + +import attrs +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, dim, field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Oc(Package): + @attrs.define + class TrackTimesrecord: + _keyword: ClassVar[str] = "track_times" + times: float = attrs.field() + + @attrs.define + class TrackTimesfilerecord: + _keyword: ClassVar[str] = "track_timesfile" + timesfile: str = attrs.field() + + budget_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + budgetcsv_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + track_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + trackcsv_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + track_release: bool = field(block="options", default=False, longname="track release") + track_exit: bool = field(block="options", default=False, longname="track domain exits") + track_subfeature_exit: bool = field(block="options", default=False, longname="track cell exits") + track_timestep: bool = field(block="options", default=False, longname="track timestep ends") + track_terminate: bool = field(block="options", default=False, longname="track termination") + track_weaksink: bool = field(block="options", default=False, longname="track weaksink exits") + track_usertime: bool = field( + block="options", default=False, longname="track user-specified times" + ) + track_dropped: bool = field( + block="options", default=False, longname="track drops to water table" + ) + track_timesrecord: Optional[TrackTimesrecord] = field(block="options", default=None) + track_timesfilerecord: Optional[TrackTimesfilerecord] = field(block="options", default=None) + dev_dump_event_trace: bool = field( + block="options", default=False, longname="print particle tracking events" + ) + ntracktimes: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of particle tracking times" + ) + time: Optional[NDArray[np.float64]] = array( + block="tracktimes", + dims=("ntracktimes",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="release time", + ) + # TODO: saverecord — complex type 'record' not yet supported + # TODO: printrecord — complex type 'record' not yet supported diff --git a/flopy4/mf6/prt/prp.py b/flopy4/mf6/prt/prp.py new file mode 100644 index 00000000..d30c0649 --- /dev/null +++ b/flopy4/mf6/prt/prp.py @@ -0,0 +1,173 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import ClassVar, Optional + +import attrs +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, dim, field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Prp(Package): + multi_package: ClassVar[bool] = True + + @attrs.define + class ReleaseTimesrecord: + _keyword: ClassVar[str] = "release_times" + times: float = attrs.field() + + @attrs.define + class ReleaseTimesfilerecord: + _keyword: ClassVar[str] = "release_timesfile" + timesfile: str = attrs.field() + + boundnames: bool = field(block="options", default=False) + print_input: bool = field( + block="options", default=False, longname="print input to listing file" + ) + dev_exit_solve_method: Optional[int] = field( + block="options", default=None, longname="exit solve method" + ) + exit_solve_tolerance: Optional[float] = field( + block="options", default=None, longname="exit solve tolerance" + ) + local_z: bool = field( + block="options", default=False, longname="whether to use local z coordinates" + ) + extend_tracking: bool = field( + block="options", + default=False, + longname="whether to extend tracking beyond the end of the simulation", + ) + track_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + trackcsv_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="fileout" + ) + stoptime: Optional[float] = field(block="options", default=None, longname="stop time") + stoptraveltime: Optional[float] = field( + block="options", default=None, longname="stop travel time" + ) + stop_at_weak_sink: bool = field(block="options", default=False, longname="stop at weak sink") + istopzone: Optional[int] = field(block="options", default=None, longname="stop zone number") + drape: bool = field(block="options", default=False, longname="drape") + release_timesrecord: Optional[ReleaseTimesrecord] = field(block="options", default=None) + release_timesfilerecord: Optional[ReleaseTimesfilerecord] = field(block="options", default=None) + dry_tracking_method: Optional[str] = field( + block="options", default=None, longname="what to do in dry-but-active cells" + ) + dev_forceternary: bool = field( + block="options", default=False, longname="force ternary tracking method" + ) + release_time_tolerance: Optional[float] = field( + block="options", default=None, longname="release time coincidence tolerance" + ) + release_time_frequency: Optional[float] = field( + block="options", default=None, longname="release time frequency" + ) + coordinate_check_method: Optional[str] = field( + block="options", default=None, longname="coordinate checking method" + ) + dev_cycle_detection_window: Optional[int] = field( + block="options", default=None, longname="cycle detection window size" + ) + nreleasepts: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of particle release points" + ) + nreleasetimes: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of particle release times" + ) + irptno: Optional[NDArray[np.int64]] = array( + block="packagedata", + dims=("nreleasepts",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="prp id number for release point", + ) + cellid: Optional[NDArray[np.int64]] = array( + block="packagedata", + dims=("nreleasepts",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="cell identifier", + ) + xrpt: Optional[NDArray[np.float64]] = array( + block="packagedata", + dims=("nreleasepts",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="x coordinate of release point", + ) + yrpt: Optional[NDArray[np.float64]] = array( + block="packagedata", + dims=("nreleasepts",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="y coordinate of release point", + ) + zrpt: Optional[NDArray[np.float64]] = array( + block="packagedata", + dims=("nreleasepts",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="z coordinate of release point", + ) + boundname: Optional[NDArray[np.object_]] = array( + block="packagedata", + dims=("nreleasepts",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="release point name", + ) + time: Optional[NDArray[np.float64]] = array( + block="releasetimes", + dims=("nreleasetimes",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="release time", + ) + all_: Optional[NDArray[np.bool_]] = array( + block="period", + dims=("nper",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + ) + first: Optional[NDArray[np.bool_]] = array( + block="period", + dims=("nper",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + ) + last: Optional[NDArray[np.bool_]] = array( + block="period", + dims=("nper",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + ) + frequency: Optional[NDArray[np.int64]] = array( + block="period", + dims=("nper",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + ) + steps: Optional[NDArray[np.int64]] = array( + block="period", + dims=("nper", "".] +# = +# +# Remove each entry once the corresponding upstream PR merges. + +["gwf-ic".strt] +# strt should default to 1.0 per MODFLOW 6 user documentation. +# TODO: open modflow6 PR to add default_value = 1.0 to gwf-ic.dfn +default = 1.0 + +["gwf-npf".icelltype] +# icelltype should default to 0 (confined) per MODFLOW 6 user documentation. +# TODO: open modflow6 PR to add default_value = 0 to gwf-npf.dfn +default = 0 + +["gwf-npf".k] +# k should default to 1.0 per MODFLOW 6 user documentation. +# TODO: open modflow6 PR to add default_value = 1.0 to gwf-npf.dfn +default = 1.0 + +["gwf-npf".wetfct] +# wetfct is tagged in MF6 input (WETFCT ) per MF6 IO doc p.50 and user examples. +# The upstream DFN omits 'tagged = true'; override pending upstream PR. +tagged = true + +["gwf-npf".iwetit] +# iwetit is tagged in MF6 input (IWETIT ) per MF6 IO doc p.50. +# The upstream DFN omits 'tagged = true'; override pending upstream PR. +tagged = true + +["gwf-npf".ihdwet] +# ihdwet is tagged in MF6 input (IHDWET ) per MF6 IO doc p.50. +# The upstream DFN omits 'tagged = true'; override pending upstream PR. +tagged = true + +["gwf-sto".iconvert] +# iconvert should default to 0 (confined) per MODFLOW 6 user documentation. +# TODO: open modflow6 PR to add default_value = 0 to gwf-sto.dfn +default = 0 + +["gwf-rcha".readasarrays] +# readasarrays must default to True for array-based recharge input. +# TODO: open modflow6 PR to add default_value = true to gwf-rcha.dfn +default = true + +["gwf-evta".readasarrays] +# readasarrays must default to True for array-based ET input. +# TODO: open modflow6 PR to add default_value = true to gwf-evta.dfn +default = true + +["gwf-chdg".readarraygrid] +# readarraygrid is semantically non-developmode (like readasarrays) but marked +# developmode=True in upstream DFN; override to expose it and default to True. +developmode = false +default = true + +["gwf-drng".readarraygrid] +# same as gwf-chdg.readarraygrid +developmode = false +default = true + +["gwf-welg".readarraygrid] +# same as gwf-chdg.readarraygrid +developmode = false +default = true + +["gwf-ghbg".readarraygrid] +# same as gwf-chdg.readarraygrid +developmode = false +default = true + +["gwf-rivg".readarraygrid] +# same as gwf-chdg.readarraygrid +developmode = false +default = true + +# Longname copy-paste and spelling errors — pending upstream modflow6 PRs + +["gwf-evta".rate] +# rate longname is a copy-paste of the surface field above it in the DFN. +longname = "evapotranspiration rate" + +["gwf-evta".save_flows] +# save_flows longname copied from gwf-chd; should reference evta. +longname = "save evta flows to budget file" + +["gwf-rivg".cond] +# "conductnace" is a spelling error in the upstream DFN. +longname = "river conductance" + +["gwf-riv".boundname] +# boundname longname copied from gwf-drn; should reference riv. +longname = "river name" + +["gwf-riv".save_flows] +# save_flows longname copied from gwf-chd; should reference riv. +longname = "save riv flows to budget file" + +["gwf-drn".save_flows] +# save_flows longname copied from gwf-chd; should reference drn. +longname = "save drn flows to budget file" + +["gwf-ghb".save_flows] +# save_flows longname copied from gwf-chd; should reference ghb. +longname = "save ghb flows to budget file" + +["gwf-rcha".save_flows] +# save_flows longname copied from gwf-chd; should reference rcha. +longname = "save rcha flows to budget file" + +["gwt-src".save_flows] +# save_flows longname copied from gwf-wel; should reference src. +longname = "save src flows to budget file" + +["gwt-src".boundname] +# boundname longname copied from gwf-wel; should reference src. +longname = "source name" + +["gwt-mvt".save_flows] +# save_flows longname copied from gwf-lak; should reference mvt. +longname = "save mvt flows to budget file" + +["gwe-esl".save_flows] +# save_flows longname copied from gwf-wel; should reference esl. +longname = "save esl flows to budget file" + +["gwe-esl".boundname] +# boundname longname copied from gwf-wel; should reference esl. +longname = "energy source loading name" + +["gwe-mve".save_flows] +# save_flows longname copied from gwf-lak; should reference mve. +longname = "save mve flows to budget file" + +["gwf-csub".boundname] +# boundname longname copied from gwf-wel; should reference csub interbeds. +longname = "interbed name" + +["gwf-csub".sig0] +# sig0 longname copied from gwf-wel; should reference csub geostatic stress offset. +longname = "geostatic stress offset" + +["sln-ims".complexity] +# complexity longname is a copy-paste of print_option's longname in the upstream DFN. +longname = "solver complexity" + +["sln-ims".number_orthogonalizations] +# number_orthogonalizations longname is a copy-paste of preconditioner_drop_tolerance's +# longname in the upstream DFN. +longname = "number of orthogonalizations" diff --git a/flopy4/mf6/utils/codegen/filters.py b/flopy4/mf6/utils/codegen/filters.py new file mode 100644 index 00000000..c060cf7a --- /dev/null +++ b/flopy4/mf6/utils/codegen/filters.py @@ -0,0 +1,657 @@ +""" +Python-side filters for MF6 code generation. + +Converts modflow_devtools.dfns Dfn/Field dataclasses to the context +dicts consumed by Jinja templates. Keeping computation here (rather +than in Jinja macros) makes edge-case handling easier to test and debug. +""" + +import builtins +import keyword +from pathlib import Path + +from modflow_devtools.dfns import Dfn +from modflow_devtools.dfns.schema.field import Field + +from .overrides import apply as apply_override + +# DFN-level routing helpers + +# Components whose model prefix maps to the flopy4/mf6/ root (no subdir). +_ROOT_PREFIXES = {"sim", "sln"} + + +def model_abbr(dfn_name: str) -> str | None: + """Return the model prefix of a DFN name, or None for top-level components. + + Examples + -------- + "gwf-ic" -> "gwf" + "sln-ims" -> None + "sim-nam" -> None + """ + prefix = dfn_name.split("-")[0] + return None if prefix in _ROOT_PREFIXES else prefix + + +def pkg_abbr(dfn_name: str) -> str: + """Return the package suffix of a DFN name. + + Examples + -------- + "gwf-ic" -> "ic" + "sln-ims" -> "ims" + """ + return dfn_name.split("-")[-1] + + +def class_name(dfn_name: str) -> str: + """Return the Python class name for a DFN. + + Examples + -------- + "gwf-ic" -> "Ic" + "sln-ims" -> "Ims" + """ + return pkg_abbr(dfn_name).capitalize() + + +def module_name(dfn_name: str) -> str: + """Return the Python module (file) name for a DFN. + + Examples + -------- + "gwf-ic" -> "ic" + """ + return pkg_abbr(dfn_name) + + +def output_path(dfn_name: str, root: Path) -> Path: + """Compute the output file path for a DFN's generated module.""" + abbr = model_abbr(dfn_name) + mod = module_name(dfn_name) + if abbr is None: + return root / f"{mod}.py" + return root / abbr / f"{mod}.py" + + +# DFN block-level helpers + + +def has_period_block(dfn: Dfn) -> bool: + """True if the DFN defines a period block (stress package).""" + return "period" in (dfn.blocks or {}) + + +def has_dimensions_block(dfn: Dfn) -> bool: + """True if the DFN has a dimensions block with a 'maxbound' field. + + Only packages with a field literally named 'maxbound' use the + auto-computed pattern (init=False, on_setattr=update_maxbound). + Packages like MVR/BUY/VSC have user-specified dimension scalars + (maxmvr, maxpackages, nrhospecies) that must NOT be init=False. + """ + dim_block = (dfn.blocks or {}).get("dimensions", {}) + return "maxbound" in dim_block + + +# Field classification + +# v2 TOML uses "double" for what v1 called "double precision" +_SCALAR_TYPES = {"keyword", "integer", "double precision", "double", "string"} +_ARRAY_BASE_TYPES = {"double precision", "double", "integer", "string"} + +# DFN dimension name → flopy4 canonical dimension name. +# Applied when converting DFN shape strings to dims tuples. +_DIM_ALIASES: dict[str, str] = { + "nnodes": "nodes", +} + +# Alternative-grid shape tokens: each key is a raw DFN token that appears in +# shape strings and contains * or ; (making it look "complex"), but maps to a +# single well-known flopy4 dimension. Substituted before complexity checks. +# "ncol*nrow; ncpl": cells per layer — ncol*nrow for DIS, ncpl for DISV. +_ALT_DIM_TOKENS: dict[str, str] = { + "ncol*nrow; ncpl": "ncpl", +} + +# DFN dimension names that are dropped from dims tuples entirely. +# naux: auxiliary variable count is not tracked as an xattree dim — +# auxiliary data is stored flattened into the primary node dimension. +# nseg-1: number of ET segment values per row (EVT list-based input); +# repeated columns per row like naux, not a separate array dimension. +_DROP_DIMS: frozenset[str] = frozenset({"naux", "nseg-1"}) + + +def _has_file_child(f: Field) -> bool: + if f.children: + return "filein" in f.children or "fileout" in f.children + # v1 DFN fields encode subfields in the type string, e.g. + # "record ts6 filein ts6_filename" — check there instead. + return " filein " in f.type or " fileout " in f.type + + +def _has_file_child_of(f: Field, kind: str) -> bool: + """True if the record has a child of the given kind ('filein' or 'fileout').""" + if f.children: + return kind in f.children + return f" {kind} " in f.type + + +def _file_record_subfield_names(f: Field) -> frozenset[str]: + """Return the subfield names encoded in a v1 DFN record type string.""" + if f.children: + return frozenset(f.children) + # type string format: "record name1 name2 ..." + parts = f.type.split() + return frozenset(parts[1:]) if len(parts) > 1 else frozenset() + + +def _resolve_alt_grid(shape: str) -> str: + """Replace known alternative-grid tokens with their canonical names.""" + for token, canonical in _ALT_DIM_TOKENS.items(): + shape = shape.replace(token, canonical) + return shape + + +def _has_complex_shape(f: Field) -> bool: + """True for shapes with unsupported alternative-grid or arithmetic notation.""" + if not f.shape: + return False + resolved = _resolve_alt_grid(f.shape) + return "*" in resolved or ";" in resolved + + +def is_scalar(f: Field) -> bool: + """True for simple scalar fields (no shape).""" + return f.type in _SCALAR_TYPES and not f.shape + + +def is_array(f: Field) -> bool: + """True for array fields (numeric or string type with a shape). + + Excludes auxiliary variable lists, which are handled by is_aux_list_field. + """ + return ( + f.type in _ARRAY_BASE_TYPES + and bool(f.shape) + and not _has_complex_shape(f) + and not is_aux_list_field(f) + ) + + +def is_keyword_array(f: Field) -> bool: + """True for boolean-array fields (keyword type with shape).""" + return f.type == "keyword" and bool(f.shape) and not _has_complex_shape(f) + + +def is_file_record(f: Field) -> bool: + """True for record fields whose children include filein or fileout.""" + return f.type.startswith("record") and _has_file_child(f) + + +def is_aux_list_field(f: Field) -> bool: + """True for auxiliary variable name lists (options block, shape naux). + + These are generated as ``Optional[list[str]]`` with no dims and no + structure_array converter, matching the hand-written pattern. + """ + return f.type == "string" and f.block == "options" and bool(f.shape) and "naux" in f.shape + + +def is_period_array(f: Field) -> bool: + """True for array fields in the period block.""" + return f.block == "period" and (is_array(f) or is_keyword_array(f)) + + +def is_dimensions_scalar(f: Field) -> bool: + """True for scalar fields in the dimensions block (computed, init=False).""" + return f.block == "dimensions" and is_scalar(f) + + +def is_boundname_field(f: Field) -> bool: + """True for the boundname string array in the period block.""" + return f.block == "period" and f.name == "boundname" + + +def is_list_field(f: Field) -> bool: + """True for list-type sub-table fields (packagedata, perioddata, etc.).""" + return f.type == "list" + + +def list_columns(f: Field) -> list[dict]: + """Return the leaf column dicts of a list-type sub-table. + + Children in the v2 TOML schema are stored as plain dicts, not Field + objects. The list field has a single record child dict; the column + entries are that record's ``children`` mapping. + """ + if not f.children: + return [] + record_child = next(iter(f.children.values())) + if not isinstance(record_child, dict): + return [] + return list(record_child.get("children", {}).values()) + + +def list_col_dim(f: Field, dfn: Dfn) -> str | None: + """Return the dimension name for list column arrays. + + Uses the last token from the list field's explicit shape when present, + preferring the actual dimensions-block field name when the shape token + differs (e.g. shape uses 'npackages' but field is 'maxpackages'). + Falls back to the single entry in the DFN's dimensions block. + Returns None when the dimension cannot be determined unambiguously. + """ + dim_block = (dfn.blocks or {}).get("dimensions", {}) + if f.shape: + inner = f.shape.strip().strip("()") + parts = [p.strip() for p in inner.split(",") if p.strip()] + if parts: + shape_dim = _DIM_ALIASES.get(parts[-1], parts[-1]) + if shape_dim in dim_block: + return shape_dim + # Shape dim may use a different prefix than the actual field name + # (e.g., shape "npackages" vs dimensions field "maxpackages"). + # Try suffix matching: strip leading "n" and find a field that ends + # with the remainder. + suffix = shape_dim.lstrip("n") + if suffix: + for fname in dim_block: + if fname.endswith(suffix): + return fname + if len(dim_block) == 1: + name = next(iter(dim_block)) + return _DIM_ALIASES.get(name, name) + return None + + +def is_generatable(f: Field) -> bool: + """True if this field can be handled in the current generation pass.""" + if _has_complex_shape(f): + return False + return ( + is_scalar(f) + or is_array(f) + or is_keyword_array(f) + or is_file_record(f) + or is_aux_list_field(f) + ) + + +def _is_expandable_child(child: dict) -> bool: + """True if a record child dict can be generated as a standalone field. + + Keywords are safe regardless of tagged — they're self-naming tokens. + Scalar data fields require tagged=True so they carry their own keyword prefix. + """ + return child["type"] == "keyword" or ( + child["type"] in _SCALAR_TYPES and child.get("tagged", False) + ) + + +_RECORD_CLASS_SCALAR_TYPES = frozenset({"integer", "double precision", "double", "string"}) + + +def can_generate_record_class(f: Field) -> bool: + """True when a compound record should be rendered as an inner attrs class. + + All non-file records whose children are entirely scalars and/or keywords + become inner attrs classes. The first keyword child (if any) is the + trigger token (``_keyword``); remaining keyword children become + ``Optional[bool]`` fields so related options stay grouped. + + All-keyword records with only one child (a lone flag keyword) are left to + :func:`can_expand_record` — a bare bool field is cleaner there than an + empty inner class. Records with unsupported child types (recarray, union, + complex shapes) fall back to TODO comments. + """ + if is_file_record(f) or not f.children: + return False + children = list(f.children.values()) + _supported = _RECORD_CLASS_SCALAR_TYPES | {"keyword"} + all_supported = all(c.get("type") in _supported for c in children) + if not all_supported: + return False + has_scalar = any(c.get("type") in _RECORD_CLASS_SCALAR_TYPES for c in children) + # All-keyword records need at least 2 children (trigger + modifier) to + # justify a class; a single lone keyword expands more cleanly to a bool. + if not has_scalar: + return len(children) >= 2 + return True + + +def can_expand_record(f: Field) -> bool: + """True if a non-file compound record can be at least partially expanded. + + A record can be expanded when all its required (non-optional) children are + individually generatable as standalone fields. Optional children that + can't be generated standalone are noted in a TODO comment but don't + block expansion. + """ + if is_file_record(f) or not f.children: + return False + for child in f.children.values(): + if not child.get("optional", False) and not _is_expandable_child(child): + return False + return True + + +def skip_reason(f: Field) -> str | None: + """Return a human-readable reason why a field is skipped, or None.""" + if is_generatable(f): + return None + if is_list_field(f): + return None # handled by _expand_list_field in make.py + if can_expand_record(f): + return None # handled by _expand_record_field in make.py + if _has_complex_shape(f): + return f"complex shape '{f.shape}' not yet supported" + if f.type in ("record", "recarray", "keystring"): + return f"complex type '{f.type}' not yet supported" + return f"type '{f.type}' not yet supported" + + +# Field iteration + + +def flat_fields(dfn: Dfn, *, developmode: bool = False) -> list[Field]: + """Return an ordered flat list of all fields from all blocks. + + Parameters + ---------- + dfn : + The component definition. + developmode : + If False (default), fields marked developmode are excluded. + """ + # Collect subfield names from file records so they can be suppressed. + subfield_names: set[str] = set() + for block in (dfn.blocks or {}).values(): + for f in block.values(): + if is_file_record(f): + subfield_names.update(_file_record_subfield_names(f)) + + result = [] + for block in (dfn.blocks or {}).values(): + for f in block.values(): + f = apply_override(dfn.name, f) + if f.developmode and not developmode: + continue + if f.name in subfield_names: + continue + result.append(f) + return result + + +# Python type annotations + +_SCALAR_PY_TYPES: dict[str, str] = { + "keyword": "bool", + "integer": "int", + "double precision": "float", + "double": "float", + "string": "str", +} + +ARRAY_NUMPY_DTYPES: dict[str, str] = { + "double precision": "np.float64", + "double": "np.float64", + "integer": "np.int64", + "string": "np.object_", + "keyword": "np.bool_", +} + + +def py_type(f: Field) -> str: + """Return the Python type annotation string for a field.""" + if is_aux_list_field(f): + return "Optional[list[str]]" + if is_file_record(f): + base = "Path" + elif is_boundname_field(f): + # boundname uses a fixed-width string dtype, not generic object + base = "NDArray[np.str_]" + elif is_keyword_array(f): + base = "NDArray[np.bool_]" + elif is_array(f): + dtype = ARRAY_NUMPY_DTYPES.get(f.type, "np.object_") + base = f"NDArray[{dtype}]" + elif is_dimensions_scalar(f): + # dimensions fields are computed (init=False) and always nullable + base = _SCALAR_PY_TYPES.get(f.type, "Any") + return f"Optional[{base}]" + elif is_scalar(f): + # Keywords are always bool (not Optional[bool]) regardless of optional flag. + if f.type == "keyword": + return "bool" + base = _SCALAR_PY_TYPES.get(f.type, "Any") + else: + base = "Any" + + # Period-block arrays can be absent for a given stress period, so they're + # implicitly nullable at the Python level even when the DFN marks them required. + is_nullable = f.optional or is_period_array(f) + return f"Optional[{base}]" if is_nullable else base + + +# Python name sanitisation + + +def safe_name(name: str) -> str: + """Return a safe Python identifier for a DFN field name.""" + name = name.replace("-", "_") + if keyword.iskeyword(name) or name in dir(builtins): + return f"{name}_" + return name + + +# spec() call strings + + +def _dims_tuple(shape: str) -> str: + """Convert a DFN shape string to a Python dims tuple literal. + + Applies _ALT_DIM_TOKENS, then _DIM_ALIASES to normalise dimension names. + + Examples + -------- + "(ncol)" -> '("ncol",)' + "(nper, nnodes)" -> '("nper", "nodes")' + "(nper, ncol*nrow; ncpl)" -> '("nper", "ncpl")' + """ + resolved = _resolve_alt_grid(shape) + inner = resolved.strip().strip("()") + raw = [_DIM_ALIASES.get(p.strip(), p.strip()) for p in inner.split(",") if p.strip()] + parts = [p for p in raw if p not in _DROP_DIMS] + quoted = ", ".join(f'"{p}"' for p in parts) + suffix = "," if len(parts) == 1 else "" + return f"({quoted}{suffix})" + + +def _longname_repr(longname: str | None) -> str | None: + if not longname: + return None + return repr(longname) + + +def _default_repr(f: Field) -> str: + """Return the Python repr of a field's default value.""" + if f.default is None: + # Scalar keywords default to False (absent == not set). + # Arrays (including keyword arrays) default to None. + if f.type == "keyword" and not f.shape: + return "False" + return "None" + if isinstance(f.default, str): + return repr(f.default) + return repr(f.default) + + +def _array_args(f: Field, *, has_maxbound: bool = False) -> list[str]: + """Build the argument list for an array() spec call. + + Shared by both is_array and is_keyword_array branches. The only + difference between them is that is_array may prepend a dtype for + the boundname field; everything else (dims, netcdf, converter, + on_setattr, longname) is identical. + """ + dims = _dims_tuple(f.shape) if f.shape else '("nodes",)' + args = [ + f'block="{f.block}"', + f"dims={dims}", + f"default={_default_repr(f)}", + ] + if f.netcdf: + args.append("netcdf=True") + args.append("converter=Converter(structure_array, takes_self=True, takes_field=True)") + if is_period_array(f) and has_maxbound: + args.append("on_setattr=update_maxbound") + if is_boundname_field(f): + args.insert(0, 'dtype=f" str: + """Return the spec function call string for a field. + + Parameters + ---------- + f : + The DFN field. + has_maxbound : + True when the containing package has a dimensions block with maxbound. + Enables ``on_setattr=update_maxbound`` on period block arrays. + + The call is intentionally kept as a single line so that ruff + can reformat it to the project's style. + """ + if is_aux_list_field(f): + args = [f'block="{f.block}"', f"default={_default_repr(f)}"] + if ln := _longname_repr(f.longname): + args.append(f"longname={ln}") + return f"array({', '.join(args)})" + + if is_file_record(f): + inout = "filein" if _has_file_child_of(f, "filein") else "fileout" + args = [ + f'block="{f.block}"', + f"default={_default_repr(f)}", + "converter=to_path", + f'inout="{inout}"', + ] + return f"path({', '.join(args)})" + + if is_keyword_array(f) or is_array(f): + return f"array({', '.join(_array_args(f, has_maxbound=has_maxbound))})" + + # scalar field + if is_dimensions_scalar(f): + if has_maxbound and f.name == "maxbound": + # Only maxbound itself is auto-computed from data, so init=False. + # Other dimension scalars in the same block (e.g. nseg in EVT) are + # user-specified and must remain in __init__. + args = [f'block="{f.block}"', f"default={_default_repr(f)}", "init=False"] + if f.longname: + args.append(f"longname={repr(f.longname)}") + return f"field({', '.join(args)})" + else: + # User-specified dims (nseg, nrhospecies, maxmvr, maxpackages, …): + # use dim(coord=False) so xattree includes the value in its + # dimension resolution when expanding array fields. + args = [f'block="{f.block}"', "coord=False", f"default={_default_repr(f)}"] + if f.longname: + args.append(f"longname={repr(f.longname)}") + return f"dim({', '.join(args)})" + args = [f'block="{f.block}"', f"default={_default_repr(f)}"] + if ln := _longname_repr(f.longname): + args.append(f"longname={ln}") + return f"field({', '.join(args)})" + + +# Import computation + + +def needed_imports( + generatable_fields: list[Field], + *, + base_class: str = "Package", + multi: bool = False, + slntype: bool = False, + has_maxbound: bool = False, + has_list_cols: bool = False, + has_inner_classes: bool = False, +) -> dict[str, list[str]]: + """Compute the import lines needed for a generated module. + + Returns a dict with keys 'stdlib', 'third_party', 'flopy4'. + """ + has_array = any(is_array(f) or is_keyword_array(f) for f in generatable_fields) or has_list_cols + has_aux_list = any(is_aux_list_field(f) for f in generatable_fields) + has_path = any(is_file_record(f) for f in generatable_fields) + has_optional = any( + (f.optional or is_period_array(f)) and f.type != "keyword" for f in generatable_fields + ) + has_dimensions = any(is_dimensions_scalar(f) for f in generatable_fields) + has_stress_arrays = any(is_period_array(f) for f in generatable_fields) + has_boundname = any(is_boundname_field(f) for f in generatable_fields) + has_classvar = multi or slntype or has_inner_classes + + # dimensions, aux list, list-expansion columns, and inner class parents are always Optional + if has_dimensions or has_aux_list or has_list_cols or has_inner_classes: + has_optional = True + + stdlib: list[str] = [] + if has_path: + stdlib.append("from pathlib import Path") + typing_parts: list[str] = [] + if has_classvar: + typing_parts.append("ClassVar") + if has_optional: + typing_parts.append("Optional") + if typing_parts: + stdlib.append(f"from typing import {', '.join(sorted(typing_parts))}") + + third_party: list[str] = [] + if has_inner_classes: + third_party.append("import attrs") + if has_array: + third_party.append("import numpy as np") + third_party.append("from attrs import Converter") + third_party.append("from numpy.typing import NDArray") + third_party.append("from xattree import xattree") + + _base_imports = { + "Package": "from flopy4.mf6.package import Package", + "Solution": "from flopy4.mf6.solution import Solution", + "Context": "from flopy4.mf6.context import Context", + } + + has_user_dims = any( + is_dimensions_scalar(f) and f.name != "maxbound" for f in generatable_fields + ) + + spec_funcs: list[str] = ["field"] + if has_array or has_aux_list: + spec_funcs.append("array") + if has_path: + spec_funcs.append("path") + if has_user_dims: + spec_funcs.append("dim") + spec_funcs = sorted(set(spec_funcs)) + + flopy4: list[str] = [] + if has_boundname: + flopy4.append("from flopy4.mf6.constants import LENBOUNDNAME") + if has_array: + flopy4.append("from flopy4.mf6.converter import structure_array") + flopy4.append(_base_imports.get(base_class, _base_imports["Package"])) + flopy4.append(f"from flopy4.mf6.spec import {', '.join(spec_funcs)}") + if has_path: + flopy4.append("from flopy4.utils import to_path") + if has_stress_arrays and has_maxbound: + flopy4.append("from flopy4.mf6.utils.grid import update_maxbound") + + return {"stdlib": stdlib, "third_party": third_party, "flopy4": flopy4} diff --git a/flopy4/mf6/utils/codegen/generate_classes.py b/flopy4/mf6/utils/codegen/generate_classes.py new file mode 100644 index 00000000..c59a46ec --- /dev/null +++ b/flopy4/mf6/utils/codegen/generate_classes.py @@ -0,0 +1,206 @@ +""" +Orchestrate MF6 Python class generation from DFN specification files. + +Usage (CLI):: + + pixi run python -m flopy4.mf6.utils.codegen.generate_classes --ref 6.6.0 + pixi run python -m flopy4.mf6.utils.codegen.generate_classes --dfnpath /path/to/dfns +""" + +import argparse +import logging +import shutil +import sys +import tempfile +from pathlib import Path + +from modflow_devtools.dfn import get_dfns +from modflow_devtools.dfns.dfn2toml import convert as dfn2toml + +from .make import make_all + +logger = logging.getLogger(__name__) + +_PROJ_ROOT = Path(__file__).parents[4].expanduser().resolve() +_MF6_ROOT = _PROJ_ROOT / "flopy4" / "mf6" +_MF6_REPO_OWNER = "MODFLOW-ORG" +_MF6_REPO_NAME = "modflow6" + +# DFN names that require special handling beyond simple package generation. +# These are skipped until their generation tier is implemented. +# +# nam files: model/simulation name files need special model-level handling. +# dis/disv: require DisBase + grid conversion methods (dis tier). +# tdis/ims: top-level hand-written files, not yet templated. +# *g / *a variants: gridded/array package variants, deferred. +_SKIP = { + # discretization tier (require DisBase + grid methods) + "gwf-dis", + "gwf-disv", + "gwt-dis", + "gwe-dis", + "prt-dis", + # time discretization (hand-written tdis.py) + "sim-tdis", + # solution tier: sln-ims and sln-ems are now generated; sln-pts was already generated + # OC: hand-written; period block uses custom keystring types not yet generated + "gwf-oc", + # SSM: hand-written; sources placeholder field ensures empty SOURCES block is + # written, which MF6 requires; generated version omits it (sources is a TODO) + "gwt-ssm", + "gwe-ssm", + # PRT-FMI: packagedata has heterogeneous rows (gwfhead/gwfbudget/gwfspdis), + # each a separate FILEIN record — hand-written to emit correct output + "prt-fmi", + # keystring period block: ocsetting and releasesetting not yet supported by codegen; + # files are partially functional (OPTIONS block only) and used in integration tests + "prt-oc", + "prt-prp", +} + + +def generate_classes( + owner: str = _MF6_REPO_OWNER, + repo: str = _MF6_REPO_NAME, + ref: str | None = None, + dfnpath: str | None = None, + outdir: str | Path = _MF6_ROOT, + developmode: bool = False, + fmt: bool = True, + makedirs: bool = False, + existing_only: bool = False, +) -> None: + """Generate Python classes for MODFLOW 6 packages. + + Fetches (or reads) v1 DFN files, converts them to v2 TOML, then + generates a Python source file for each component into ``outdir``. + + Parameters + ---------- + owner : + GitHub organisation that owns the MODFLOW 6 repository. + repo : + Repository name. + ref : + Branch name, tag, or commit hash to fetch DFNs from. + Required when ``dfnpath`` is None. + dfnpath : + Path to a local directory of v1 ``.dfn`` files. Takes precedence + over remote fetching when supplied. + outdir : + Root output directory. Defaults to ``flopy4/mf6/`` inside the + project so generated files land alongside hand-written ones. + developmode : + Include fields marked ``developmode`` in the DFN. Default False. + fmt : + Run ``ruff format`` / ``ruff check --fix`` on each generated file. + """ + if dfnpath is None and ref is None: + raise ValueError("Provide either 'ref' (remote) or 'dfnpath' (local).") + + with tempfile.TemporaryDirectory() as tmp: + tmpdir = Path(tmp) + v1dir = tmpdir / "v1" + v2dir = tmpdir / "v2" + v1dir.mkdir() + v2dir.mkdir() + + if dfnpath is not None: + src = Path(dfnpath).expanduser().resolve() + if not src.is_dir(): + raise FileNotFoundError(f"dfnpath '{src}' is not a directory.") + shutil.copytree(src, v1dir, dirs_exist_ok=True) + logger.info(f"Using local DFNs from {src}") + else: + logger.info(f"Fetching DFNs from {owner}/{repo}@{ref}") + get_dfns( + owner=owner, + repo=repo, + ref=ref, + outdir=v1dir, + verbose=logger.isEnabledFor(logging.INFO), + ) + + logger.info("Converting v1 DFNs to v2 TOML") + dfn2toml(v1dir, v2dir) + + outdir = Path(outdir).expanduser().resolve() + generated = make_all( + dfndir=v2dir, + outdir=outdir, + developmode=developmode, + fmt=fmt, + skip=_SKIP, + makedirs=makedirs, + existing_only=existing_only, + ) + + logger.info(f"Generated {len(generated)} files.") + + +def cli_main() -> None: + """Command-line entry point.""" + parser = argparse.ArgumentParser( + description="Generate MF6 Python classes from DFN specification files.", + ) + parser.add_argument("--owner", default=_MF6_REPO_OWNER) + parser.add_argument("--repo", default=_MF6_REPO_NAME) + parser.add_argument( + "--ref", + default=None, + help="Git ref (branch, tag, or commit) to fetch DFNs from.", + ) + parser.add_argument( + "--dfnpath", + default=None, + help="Path to a local directory of v1 .dfn files.", + ) + parser.add_argument( + "--outdir", + default=str(_MF6_ROOT), + help="Root output directory (default: flopy4/mf6/ in the project).", + ) + parser.add_argument( + "--developmode", + action="store_true", + help="Include developmode fields.", + ) + parser.add_argument( + "--no-format", + action="store_true", + help="Skip ruff formatting.", + ) + parser.add_argument( + "--makedirs", + action="store_true", + help="Create missing output subdirectories (useful for preview paths).", + ) + parser.add_argument( + "--existing-only", + action="store_true", + help="Only regenerate files that already exist on disk.", + ) + parser.add_argument("--verbose", action="store_true") + args = parser.parse_args() + + if args.verbose: + logging.basicConfig(level=logging.INFO) + + try: + generate_classes( + owner=args.owner, + repo=args.repo, + ref=args.ref, + dfnpath=args.dfnpath, + outdir=args.outdir, + developmode=args.developmode, + fmt=not args.no_format, + makedirs=args.makedirs, + existing_only=args.existing_only, + ) + except (EOFError, KeyboardInterrupt): + sys.exit(f"Cancelled '{sys.argv[0]}'") + + +if __name__ == "__main__": + cli_main() diff --git a/flopy4/mf6/utils/codegen/make.py b/flopy4/mf6/utils/codegen/make.py new file mode 100644 index 00000000..4b0f2d9c --- /dev/null +++ b/flopy4/mf6/utils/codegen/make.py @@ -0,0 +1,463 @@ +""" +Generate Python source files from MODFLOW 6 DFN files. + +All template context is pre-computed in Python (see filters.py) so that +Jinja templates stay thin and logic is easy to test and debug. +""" + +import logging +import subprocess +import sys +from dataclasses import dataclass +from os import PathLike +from pathlib import Path + +import jinja2 +from modflow_devtools.dfns import Dfn, load_flat +from modflow_devtools.dfns.schema.field import Field as DfnField + +from . import filters +from .overrides import apply_to_child + +logger = logging.getLogger(__name__) + +_RUFF_CONFIG = Path(__file__).parents[4] / "pyproject.toml" + + +# Pre-computed context dataclasses + + +@dataclass +class FieldSpec: + """Pre-computed context for a single DFN field.""" + + dfn_name: str + py_name: str + type_annotation: str + spec_call: str + generatable: bool + skip_reason: str | None = None + + +@dataclass +class InnerClassFieldSpec: + """Pre-computed context for one field of an inner attrs class.""" + + py_name: str + type_annotation: str + tagged: bool + optional: bool + + +@dataclass +class InnerClassSpec: + """Pre-computed context for a generated inner attrs class.""" + + class_name: str + keyword: str + fields: list[InnerClassFieldSpec] + + +@dataclass +class ComponentSpec: + """Pre-computed context for a generated component class.""" + + dfn_name: str + class_name: str + base_class: str + multi: bool + slntype: str | None + imports: dict[str, list[str]] + fields: list[FieldSpec] + inner_classes: list[InnerClassSpec] + outpath: Path + template: str = "package.py.jinja" + + +# Context builders + + +def _build_field_spec(f: DfnField, *, has_maxbound: bool = False) -> FieldSpec: + generatable = filters.is_generatable(f) + return FieldSpec( + dfn_name=f.name, + py_name=filters.safe_name(f.name), + type_annotation=filters.py_type(f) if generatable else "Any", + spec_call=filters.spec_call(f, has_maxbound=has_maxbound) if generatable else "", + generatable=generatable, + skip_reason=filters.skip_reason(f), + ) + + +_FIELD_KNOWN_KEYS = frozenset( + { + "name", + "type", + "block", + "default", + "longname", + "description", + "children", + "optional", + "developmode", + "shape", + "valid", + "netcdf", + "tagged", + } +) + + +def _child_to_field(child_dict: dict) -> DfnField: + """Convert a record child dict to a Field object.""" + return DfnField(**{k: v for k, v in child_dict.items() if k in _FIELD_KNOWN_KEYS}) + + +def _expand_record_field( + f: DfnField, *, has_maxbound: bool = False +) -> tuple[list[FieldSpec], list[DfnField]]: + """Expand a compound record into FieldSpecs for its generatable children. + + Returns (field_specs, generatable_child_fields). field_specs contains one + entry per expandable child plus an optional partial-TODO for any optional + children that can't be generated standalone. generatable_child_fields is + the corresponding list of Field objects used for import computation. + """ + children = f.children or {} + expandable: list[DfnField] = [] + unexpandable_optional: list[str] = [] + + for child_dict in children.values(): + if filters._is_expandable_child(child_dict): + expandable.append(_child_to_field(child_dict)) + elif child_dict.get("optional", False): + unexpandable_optional.append(child_dict["name"]) + # required unexpandable children were already blocked by can_expand_record + + specs: list[FieldSpec] = [] + gen_fields: list[DfnField] = [] + for child_field in expandable: + spec = _build_field_spec(child_field, has_maxbound=has_maxbound) + specs.append(spec) + if spec.generatable: + gen_fields.append(child_field) + + if unexpandable_optional: + specs.append( + FieldSpec( + dfn_name=f.name, + py_name=filters.safe_name(f.name), + type_annotation="Any", + spec_call="", + generatable=False, + skip_reason=( + f"positional sub-fields not yet supported: " + f"{', '.join(unexpandable_optional)}" + ), + ) + ) + + return specs, gen_fields + + +def _expand_list_field(f: DfnField, dfn: Dfn) -> list[FieldSpec]: + """Expand a list-type sub-table field into one FieldSpec per column. + + Each column becomes an array() field with the list block's block name + and the list field's dimension. Matches the hand-written Tdis pattern + of exploding perioddata columns into separate named arrays. + """ + cols = filters.list_columns(f) + dim = filters.list_col_dim(f, dfn) + if not cols or dim is None: + return [ + FieldSpec( + dfn_name=f.name, + py_name=filters.safe_name(f.name), + type_annotation="Any", + spec_call="", + generatable=False, + skip_reason="could not determine list column dimension", + ) + ] + + specs = [] + for col in cols: + col = apply_to_child(dfn.name, col) + col_name = col["name"] + col_type = col.get("type", "string") + col_longname = col.get("longname", "") + dtype = filters.ARRAY_NUMPY_DTYPES.get(col_type, "np.object_") + base = f"NDArray[{dtype}]" + annotation = f"Optional[{base}]" # expanded columns always default to None + args = [ + f'block="{f.block}"', + f'dims=("{dim}",)', + "default=None", + "converter=Converter(structure_array, takes_self=True, takes_field=True)", + ] + if col_longname: + args.append(f"longname={repr(col_longname)}") + specs.append( + FieldSpec( + dfn_name=col_name, + py_name=filters.safe_name(col_name), + type_annotation=annotation, + spec_call=f"array({', '.join(args)})", + generatable=True, + ) + ) + return specs + + +_SCALAR_PY_TYPES_INNER: dict[str, str] = { + "keyword": "bool", + "integer": "int", + "double precision": "float", + "double": "float", + "string": "str", +} + + +def _build_inner_class_spec(f: DfnField, dfn_name: str) -> InnerClassSpec: + """Build an InnerClassSpec for a mixed-type compound record field. + + When the first child is a keyword type it becomes the trigger token + (``_keyword``) and is not emitted as a data field. When the first child + is a tagged scalar there is no leading keyword token (``_keyword = ""``) + and all children become data fields. + """ + children = list((f.children or {}).values()) + first = children[0] + if first.get("type") == "keyword": + keyword = first["name"] + data_children = children[1:] + else: + keyword = "" + data_children = children + + inner_fields: list[InnerClassFieldSpec] = [] + for child_dict in data_children: + child_dict = apply_to_child(dfn_name, child_dict) + child_type = child_dict.get("type", "string") + child_name = child_dict["name"] + is_optional = child_dict.get("optional", False) + tagged = child_dict.get("tagged", False) + + base_type = _SCALAR_PY_TYPES_INNER.get(child_type, "Any") + type_annotation = f"Optional[{base_type}]" if is_optional else base_type + + inner_fields.append( + InnerClassFieldSpec( + py_name=filters.safe_name(child_name), + type_annotation=type_annotation, + tagged=tagged, + optional=is_optional, + ) + ) + + words = f.name.split("_") + # Strip trailing "record" — either as a whole word or as a suffix of the last word + # e.g. "rewet_record" → "Rewet", "rcloserecord" → "Rclose", "xt3d" → "Xt3d" + if words: + last = words[-1].lower() + if last == "record": + words = words[:-1] + elif last.endswith("record"): + words[-1] = words[-1][: -len("record")] + class_name = "".join(w.capitalize() for w in words if w) + return InnerClassSpec(class_name=class_name, keyword=keyword, fields=inner_fields) + + +_SLN_PREFIX = "sln" + + +def _base_class(dfn: Dfn) -> str: + """Determine the Python base class for a component.""" + if dfn.name.split("-")[0] == _SLN_PREFIX: + return "Solution" + return "Package" + + +def _slntype(dfn: Dfn) -> str | None: + """Return the slntype string for solution DFNs, or None.""" + if dfn.name.split("-")[0] == _SLN_PREFIX: + return dfn.name.split("-")[1] + return None + + +def build_component_spec( + dfn: Dfn, + *, + root: Path, + developmode: bool = False, +) -> ComponentSpec: + """Build all template context for a DFN component.""" + all_fields = filters.flat_fields(dfn, developmode=developmode) + + has_maxbound = filters.has_dimensions_block(dfn) + + field_specs: list[FieldSpec] = [] + inner_class_specs: list[InnerClassSpec] = [] + generatable_field_objects: list[DfnField] = [] + has_list_cols = False + for f in all_fields: + if filters.is_list_field(f): + expanded = _expand_list_field(f, dfn) + field_specs.extend(expanded) + has_list_cols = has_list_cols or any(fs.generatable for fs in expanded) + elif filters.can_generate_record_class(f): + record_spec = _build_inner_class_spec(f, dfn.name) + inner_class_specs.append(record_spec) + field_specs.append( + FieldSpec( + dfn_name=f.name, + py_name=filters.safe_name(f.name), + type_annotation=f"Optional[{record_spec.class_name}]", + spec_call=f'field(block="{f.block}", default=None)', + generatable=True, + ) + ) + generatable_field_objects.append(f) + elif filters.can_expand_record(f): + specs, gen_fields = _expand_record_field(f, has_maxbound=has_maxbound) + field_specs.extend(specs) + generatable_field_objects.extend(gen_fields) + else: + spec = _build_field_spec(f, has_maxbound=has_maxbound) + field_specs.append(spec) + if spec.generatable: + generatable_field_objects.append(f) + + base = _base_class(dfn) + multi = bool(dfn.multi) + slntype = _slntype(dfn) + has_inner_classes = bool(inner_class_specs) + + imports = filters.needed_imports( + generatable_field_objects, + base_class=base, + multi=multi, + slntype=slntype is not None, + has_maxbound=has_maxbound, + has_list_cols=has_list_cols, + has_inner_classes=has_inner_classes, + ) + + template = "package.py.jinja" + + return ComponentSpec( + dfn_name=dfn.name, + class_name=filters.class_name(dfn.name), + base_class=base, + multi=multi, + slntype=slntype, + imports=imports, + fields=field_specs, + inner_classes=inner_class_specs, + outpath=filters.output_path(dfn.name, root), + template=template, + ) + + +# Template environment + + +def _get_env() -> jinja2.Environment: + loader = jinja2.PackageLoader("flopy4", "mf6/utils/codegen/templates") + return jinja2.Environment( + loader=loader, + trim_blocks=True, + lstrip_blocks=True, + keep_trailing_newline=True, + undefined=jinja2.StrictUndefined, + ) + + +# File generation + + +def _format(path: Path) -> None: + config = ["--config", str(_RUFF_CONFIG)] if _RUFF_CONFIG.exists() else [] + subprocess.run( + [sys.executable, "-m", "ruff", "format", *config, str(path)], + check=True, + capture_output=True, + ) + subprocess.run( + [sys.executable, "-m", "ruff", "check", "--fix", *config, str(path)], + check=True, + capture_output=True, + ) + + +def make_component( + spec: ComponentSpec, + env: jinja2.Environment, + *, + fmt: bool = True, +) -> None: + """Render and write a single component file.""" + template = env.get_template(spec.template) + rendered = template.render(spec=spec) + spec.outpath.write_text(rendered) + logger.info(f"Wrote {spec.outpath}") + if fmt: + try: + _format(spec.outpath) + except subprocess.CalledProcessError as e: + logger.warning(f"Failed to format {spec.outpath}: {e.stderr.decode().strip()}") + + +def make_all( + *, + dfndir: PathLike, + outdir: PathLike, + developmode: bool = False, + fmt: bool = True, + skip: set[str] | None = None, + makedirs: bool = False, + existing_only: bool = False, +) -> list[ComponentSpec]: + """Generate Python source files for all DFNs in dfndir. + + Parameters + ---------- + dfndir : + Directory containing v2 TOML DFN files. + outdir : + Root output directory for generated Python files. + developmode : + If True, include developmode fields. + fmt : + If True, run ruff format/check on generated files. + skip : + Set of DFN names to skip. + makedirs : + If True, create output subdirectories as needed. + existing_only : + If True, only (re)generate files that already exist on disk. + + Returns + ------- + list[ComponentSpec] + Specs for all components that were generated. + """ + dfndir = Path(dfndir) + outdir = Path(outdir) + skip = skip or set() + env = _get_env() + dfns = load_flat(dfndir) + specs = [] + for name, dfn in dfns.items(): + if name in skip: + continue + spec = build_component_spec(dfn, root=outdir, developmode=developmode) + if existing_only and not spec.outpath.exists(): + logger.info(f"{spec.outpath} does not exist — skipping {name} (existing_only)") + continue + if makedirs: + spec.outpath.parent.mkdir(parents=True, exist_ok=True) + make_component(spec, env, fmt=fmt) + specs.append(spec) + return specs diff --git a/flopy4/mf6/utils/codegen/overrides.py b/flopy4/mf6/utils/codegen/overrides.py new file mode 100644 index 00000000..692914c1 --- /dev/null +++ b/flopy4/mf6/utils/codegen/overrides.py @@ -0,0 +1,85 @@ +""" +Local DFN field overrides pending upstream modflow6 repository PRs. + +Overrides are stored in ``dfn_overrides.toml`` alongside this module. +Each entry patches specific ``FieldV2`` attributes for a named field in a +named DFN. When the corresponding upstream PR merges and the DFN is +re-fetched, remove the entry. + +Format (dfn_overrides.toml):: + + ["gwf-ic".strt] + # strt should default to 1.0; see modflow6 PR #NNNN + default = 1.0 + +Usage:: + + from flopy4.mf6.utils.codegen.overrides import apply + patched_field = apply("gwf-ic", field) +""" + +import dataclasses +import tomllib +from pathlib import Path + +from modflow_devtools.dfns.schema.field import Field + +_OVERRIDES_PATH = Path(__file__).parent / "dfn_overrides.toml" + + +def _load() -> dict[str, dict[str, dict]]: + if not _OVERRIDES_PATH.exists(): + return {} + with _OVERRIDES_PATH.open("rb") as f: + return tomllib.load(f) + + +_OVERRIDES: dict[str, dict[str, dict]] = _load() + + +def apply(dfn_name: str, f: Field) -> Field: + """Return ``f`` with any registered overrides applied. + + Parameters + ---------- + dfn_name : + DFN identifier, e.g. ``"gwf-ic"``. + f : + The field to patch. + + Returns + ------- + Field + The original field if no overrides exist, otherwise a new + dataclass instance with the patched attributes. + """ + patches = _OVERRIDES.get(dfn_name, {}).get(f.name, {}) + if not patches: + return f + return dataclasses.replace(f, **patches) + + +def apply_to_child(dfn_name: str, child: dict) -> dict: + """Return ``child`` dict with any registered overrides applied. + + Used for record child dicts, which are plain dicts rather than Field + objects. Looks up by the child's ``name`` key using the same override + table as :func:`apply`. + + Parameters + ---------- + dfn_name : + DFN identifier, e.g. ``"gwf-npf"``. + child : + A record child dict from the v2 TOML schema. + + Returns + ------- + dict + The original dict if no overrides exist, otherwise a shallow-merged + copy with the patched keys. + """ + patches = _OVERRIDES.get(dfn_name, {}).get(child.get("name", ""), {}) + if not patches: + return child + return {**child, **patches} diff --git a/flopy4/mf6/utils/codegen/templates/package.py.jinja b/flopy4/mf6/utils/codegen/templates/package.py.jinja new file mode 100644 index 00000000..a61fbdc1 --- /dev/null +++ b/flopy4/mf6/utils/codegen/templates/package.py.jinja @@ -0,0 +1,52 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +{% for line in spec.imports.stdlib %} +{{ line }} +{% endfor %} +{% if spec.imports.stdlib %} + +{% endif %} +{% for line in spec.imports.third_party %} +{{ line }} +{% endfor %} + +{% for line in spec.imports.flopy4 %} +{{ line }} +{% endfor %} + + +@xattree(kw_only=True) +class {{ spec.class_name }}({{ spec.base_class }}): +{% if spec.multi %} + multi_package: ClassVar[bool] = True + +{% endif %} +{% if spec.slntype %} + slntype: ClassVar[str] = "{{ spec.slntype }}" + +{% endif %} +{% for rec in spec.inner_classes %} + @attrs.define + class {{ rec.class_name }}: + _keyword: ClassVar[str] = "{{ rec.keyword }}" +{% for f in rec.fields %} +{% if f.tagged %} + {{ f.py_name }}: {{ f.type_annotation }} = attrs.field(metadata={"tagged": True}) +{% elif f.optional %} + {{ f.py_name }}: {{ f.type_annotation }} = attrs.field(default=None) +{% else %} + {{ f.py_name }}: {{ f.type_annotation }} = attrs.field() +{% endif %} +{% endfor %} + +{% endfor %} +{% for f in spec.fields %} +{% if f.generatable %} + {{ f.py_name }}: {{ f.type_annotation }} = {{ f.spec_call }} +{% else %} + # TODO: {{ f.dfn_name }} — {{ f.skip_reason }} +{% endif %} +{% endfor %} +{% if not spec.multi and not spec.slntype and not spec.inner_classes and not spec.fields %} + pass +{% endif %} diff --git a/flopy4/mf6/utl/__init__.py b/flopy4/mf6/utl/__init__.py new file mode 100644 index 00000000..d9047f3a --- /dev/null +++ b/flopy4/mf6/utl/__init__.py @@ -0,0 +1,15 @@ +from flopy4.mf6.utl.ats import Ats +from flopy4.mf6.utl.laktab import Laktab +from flopy4.mf6.utl.ncf import Ncf +from flopy4.mf6.utl.sfrtab import Sfrtab +from flopy4.mf6.utl.spca import Spca +from flopy4.mf6.utl.tas import Tas + +__all__ = [ + "Ats", + "Laktab", + "Ncf", + "Sfrtab", + "Spca", + "Tas", +] diff --git a/flopy4/mf6/utl/ats.py b/flopy4/mf6/utl/ats.py new file mode 100644 index 00000000..11510d88 --- /dev/null +++ b/flopy4/mf6/utl/ats.py @@ -0,0 +1,61 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, dim + + +@xattree(kw_only=True) +class Ats(Package): + maxats: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of ats periods" + ) + iperats: Optional[NDArray[np.int64]] = array( + block="perioddata", + dims=("maxats",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="stress period indicator", + ) + dt0: Optional[NDArray[np.float64]] = array( + block="perioddata", + dims=("maxats",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="initial time step length", + ) + dtmin: Optional[NDArray[np.float64]] = array( + block="perioddata", + dims=("maxats",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="minimum time step length", + ) + dtmax: Optional[NDArray[np.float64]] = array( + block="perioddata", + dims=("maxats",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="maximum time step length", + ) + dtadj: Optional[NDArray[np.float64]] = array( + block="perioddata", + dims=("maxats",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="time step multiplier factor", + ) + dtfailadj: Optional[NDArray[np.float64]] = array( + block="perioddata", + dims=("maxats",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="divisor for failed time steps", + ) diff --git a/flopy4/mf6/utl/laktab.py b/flopy4/mf6/utl/laktab.py new file mode 100644 index 00000000..5e37145f --- /dev/null +++ b/flopy4/mf6/utl/laktab.py @@ -0,0 +1,52 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import ClassVar, Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, dim + + +@xattree(kw_only=True) +class Laktab(Package): + multi_package: ClassVar[bool] = True + + nrow: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of table rows" + ) + ncol: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of table columns" + ) + stage: Optional[NDArray[np.float64]] = array( + block="table", + dims=("nrow",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="lake stage", + ) + volume: Optional[NDArray[np.float64]] = array( + block="table", + dims=("nrow",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="lake volume", + ) + sarea: Optional[NDArray[np.float64]] = array( + block="table", + dims=("nrow",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="lake surface area", + ) + barea: Optional[NDArray[np.float64]] = array( + block="table", + dims=("nrow",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="lake-gwf exchange area", + ) diff --git a/flopy4/mf6/utl/ncf.py b/flopy4/mf6/utl/ncf.py new file mode 100644 index 00000000..78bb92bb --- /dev/null +++ b/flopy4/mf6/utl/ncf.py @@ -0,0 +1,60 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, dim, field + + +@xattree(kw_only=True) +class Ncf(Package): + wkt: Optional[NDArray[np.object_]] = array( + block="options", + dims=("lenbigline",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="crs well-known text (wkt) string", + ) + deflate: Optional[int] = field( + block="options", default=None, longname="variable compression deflate level" + ) + shuffle: bool = field(block="options", default=False) + chunk_time: Optional[int] = field( + block="options", default=None, longname="chunking parameter for the time dimension" + ) + chunk_face: Optional[int] = field( + block="options", default=None, longname="chunking parameter for the mesh face dimension" + ) + chunk_z: Optional[int] = field( + block="options", default=None, longname="chunking parameter for structured z" + ) + chunk_y: Optional[int] = field( + block="options", default=None, longname="chunking parameter for structured y" + ) + chunk_x: Optional[int] = field( + block="options", default=None, longname="chunking parameter for structured x" + ) + modflow6_attr_off: bool = field(block="options", default=False) + ncpl: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of cells in layer" + ) + latitude: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("ncpl",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="cell center latitude", + ) + longitude: Optional[NDArray[np.float64]] = array( + block="griddata", + dims=("ncpl",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="cell center longitude", + ) diff --git a/flopy4/mf6/utl/sfrtab.py b/flopy4/mf6/utl/sfrtab.py new file mode 100644 index 00000000..fa90041d --- /dev/null +++ b/flopy4/mf6/utl/sfrtab.py @@ -0,0 +1,45 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import ClassVar, Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, dim + + +@xattree(kw_only=True) +class Sfrtab(Package): + multi_package: ClassVar[bool] = True + + nrow: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of table rows" + ) + ncol: Optional[int] = dim( + block="dimensions", coord=False, default=None, longname="number of table columns" + ) + xfraction: Optional[NDArray[np.float64]] = array( + block="table", + dims=("nrow",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="fractional width", + ) + height: Optional[NDArray[np.float64]] = array( + block="table", + dims=("nrow",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="depth", + ) + manfraction: Optional[NDArray[np.float64]] = array( + block="table", + dims=("nrow",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="manning's roughness coefficient", + ) diff --git a/flopy4/mf6/utl/spca.py b/flopy4/mf6/utl/spca.py new file mode 100644 index 00000000..768ce16b --- /dev/null +++ b/flopy4/mf6/utl/spca.py @@ -0,0 +1,41 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from pathlib import Path +from typing import ClassVar, Optional + +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field, path +from flopy4.utils import to_path + + +@xattree(kw_only=True) +class Spca(Package): + multi_package: ClassVar[bool] = True + + readasarrays: bool = field(block="options", default=False, longname="use array-based input") + print_input: bool = field( + block="options", default=False, longname="print input to listing file" + ) + tas_filerecord: Optional[Path] = path( + block="options", default=None, converter=to_path, inout="filein" + ) + concentration: Optional[NDArray[np.float64]] = array( + block="period", + dims=("nper", "ncpl"), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="concentration", + ) + temperature: Optional[NDArray[np.float64]] = array( + block="period", + dims=("nper", "ncpl"), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + longname="temperature", + ) diff --git a/flopy4/mf6/utl/tas.py b/flopy4/mf6/utl/tas.py new file mode 100644 index 00000000..cdafddb6 --- /dev/null +++ b/flopy4/mf6/utl/tas.py @@ -0,0 +1,45 @@ +# autogenerated file, do not modify +# ruff: noqa: E501 +from typing import ClassVar, Optional + +import attrs +import numpy as np +from attrs import Converter +from numpy.typing import NDArray +from xattree import xattree + +from flopy4.mf6.converter import structure_array +from flopy4.mf6.package import Package +from flopy4.mf6.spec import array, field + + +@xattree(kw_only=True) +class Tas(Package): + multi_package: ClassVar[bool] = True + + @attrs.define + class TimeSeriesName: + _keyword: ClassVar[str] = "name" + time_series_name: str = attrs.field() + + @attrs.define + class InterpolationMethod: + _keyword: ClassVar[str] = "method" + interpolation_method: str = attrs.field() + + @attrs.define + class Sfac: + _keyword: ClassVar[str] = "sfac" + sfacval: float = attrs.field() + + time_series_namerecord: Optional[TimeSeriesName] = field(block="attributes", default=None) + interpolation_methodrecord: Optional[InterpolationMethod] = field( + block="attributes", default=None + ) + sfacrecord: Optional[Sfac] = field(block="attributes", default=None) + tas_array: NDArray[np.float64] = array( + block="time", + dims=("unknown",), + default=None, + converter=Converter(structure_array, takes_self=True, takes_field=True), + ) diff --git a/pixi.lock b/pixi.lock index 84cdac4d..1eab185d 100644 --- a/pixi.lock +++ b/pixi.lock @@ -51,63 +51,63 @@ environments: - pypi: 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- pypi: https://files.pythonhosted.org/packages/80/ab/11a76c1e2126084fde2639514f24e6111b789b0bfa4fc6264a8975c7e1f1/zict-3.0.0-py2.py3-none-any.whl name: zict version: 3.0.0 sha256: 5796e36bd0e0cc8cf0fbc1ace6a68912611c1dbd74750a3f3026b9b9d6a327ae requires_python: '>=3.8' -- pypi: https://files.pythonhosted.org/packages/2e/54/647ade08bf0db230bfea292f893923872fd20be6ac6f53b2b936ba839d75/zipp-3.23.0-py3-none-any.whl +- pypi: https://files.pythonhosted.org/packages/08/8a/0861bec20485572fbddf3dfba2910e38fe249796cb73ecdeb74e07eeb8d3/zipp-3.23.1-py3-none-any.whl name: zipp - version: 3.23.0 - sha256: 071652d6115ed432f5ce1d34c336c0adfd6a884660d1e9712a256d3d3bd4b14e + version: 3.23.1 + sha256: 0b3596c50a5c700c9cb40ba8d86d9f2cc4807e9bedb06bcdf7fac85633e444dc requires_dist: - pytest>=6,!=8.1.* ; extra == 'test' - jaraco-itertools ; extra == 'test' diff --git a/pyproject.toml b/pyproject.toml index 22a2d767..efdeb0cd 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -57,7 +57,7 @@ dependencies = [ "pydantic", "tomli", "tomli_w", - "xugrid", + "xugrid==0.14.3", ] dynamic = ["version"] @@ -93,7 +93,12 @@ include = ["flopy4", "flopy4.*"] [tool.setuptools.package-data] "flopy4.dfns" = ["dfns/*.dfn"] "flopy4.toml" = ["dfns/toml/*.toml"] -"flopy4" = ["mf6/codec/**/*.lark", "mf6/codec/**/*.jinja"] +"flopy4" = [ + "mf6/codec/**/*.lark", + "mf6/codec/**/*.jinja", + "mf6/utils/codegen/templates/*.jinja", + "mf6/utils/codegen/dfn_overrides.toml", +] [tool.ruff] line-length = 100 @@ -118,6 +123,7 @@ ignore = [ [project.scripts] dfn2lark = "flopy4.mf6.codec.reader.dfn2lark:main" +generate-mf6-classes = "flopy4.mf6.utils.codegen.generate_classes:cli_main" [project.entry-points.flopy4] plot = "flopy4.singledispatch.plot_int" @@ -158,6 +164,14 @@ build-docs = { cmd = "jupyter-book build docs/" } [tool.pixi.feature.build.tasks] build = { cmd = "python -m build" } +[tool.pixi.tasks.generate-classes] +cmd = "generate-mf6-classes --ref develop --existing-only --verbose" +description = "Regenerate existing MF6 classes in flopy4/mf6/ from upstream DFNs" + +[tool.pixi.tasks.generate-classes-preview] +cmd = "generate-mf6-classes --ref develop --outdir ./tmp/mf6-preview --makedirs --verbose" +description = "Generate MF6 classes into /tmp/mf6-preview (safe preview)" + [tool.pixi.feature.test.tasks] test = { cmd = "pytest -v -n auto", env = { MPLBACKEND = "Agg" } } @@ -172,7 +186,8 @@ warn_unreachable = true [tool.codespell] skip = "pixi.*,./docs/examples/quickstart/*,**/temp/*,./docs/examples/*.ipynb,./docs/_build/*" -ignore-words-list = ["wel", "nam", "coo", "datbase", "inout", "delt"] +ignore-words-list = ["wel", "nam", "coo", "datbase", "inout", "delt", "ist"] + [tool.pytest_env] MPLBACKEND = "agg" diff --git a/test/test_mf6_codec.py b/test/test_mf6_codec.py index de630274..db16207f 100644 --- a/test/test_mf6_codec.py +++ b/test/test_mf6_codec.py @@ -518,13 +518,14 @@ def test_dumps_npf(): dis = Dis(nlay=2, nrow=5, ncol=5) gwf = Gwf(dis=dis) - npf = Npf(parent=gwf, cvoptions=Npf.CvOptions(dewatered=True), k=1.0) + npf = Npf(parent=gwf, cvoptions=Npf.Cvoptions(dewatered=True), k=1.0) dumped = dumps(COMPONENT_CONVERTER.unstructure(npf)) print("NPF dump:") print(dumped) - assert "variablecv dewatered" in dumped + assert "VARIABLECV" in dumped + assert "DEWATERED" in dumped assert "ICELLTYPE\n CONSTANT 0" in dumped assert "K\n CONSTANT 1.0" in dumped @@ -697,3 +698,47 @@ def test_dumps_simulation(): def test_clean_last_chunk(): cleaned = writer._clean_last_chunk(iter(["chunk1", "chunk2", "\n\n"])) assert list(cleaned) == ["chunk1", "chunk2", "\n"] + + +def test_dumps_tas_inner_classes(): + """utl-tas: multi=True package with 3 inner record classes unstructures correctly. + + TimeSeriesName, InterpolationMethod, and Sfac each have a _keyword token that + must appear before the scalar value in the ATTRIBUTES block. + """ + from flopy4.mf6.utl.tas import Tas + + tas = Tas( + time_series_namerecord=Tas.TimeSeriesName(time_series_name="my_ts"), + interpolation_methodrecord=Tas.InterpolationMethod(interpolation_method="linear"), + sfacrecord=Tas.Sfac(sfacval=1.5), + ) + + unstructured = COMPONENT_CONVERTER.unstructure(tas) + assert "attributes" in unstructured + assert unstructured["attributes"]["time_series_namerecord"] == ("NAME", "my_ts") + assert unstructured["attributes"]["interpolation_methodrecord"] == ("METHOD", "linear") + assert unstructured["attributes"]["sfacrecord"] == ("SFAC", 1.5) + + dumped = dumps(unstructured) + assert "BEGIN ATTRIBUTES" in dumped + assert "NAME my_ts" in dumped + assert "METHOD linear" in dumped + assert "SFAC 1.5" in dumped + + +def test_dumps_zero_field_exg(): + """Zero-field exchange classes (gwfprt, gwfgwe, gwfgwt) instantiate and unstructure + to empty dicts, producing no output — the pass-only class body must not interfere + with xattree or the converter. + """ + from flopy4.mf6.exg.gwfgwe import Gwfgwe + from flopy4.mf6.exg.gwfgwt import Gwfgwt + from flopy4.mf6.exg.gwfprt import Gwfprt + + for cls in (Gwfprt, Gwfgwe, Gwfgwt): + obj = cls() + unstructured = COMPONENT_CONVERTER.unstructure(obj) + assert unstructured == {}, f"{cls.__name__} should unstructure to empty dict" + dumped = dumps(unstructured) + assert dumped == "", f"{cls.__name__} should produce no output" diff --git a/test/test_mf6_codegen.py b/test/test_mf6_codegen.py new file mode 100644 index 00000000..daf94fa3 --- /dev/null +++ b/test/test_mf6_codegen.py @@ -0,0 +1,645 @@ +""" +Tests for MF6 code generation. + +Structured in three layers so each tier can extend naturally: + + 1. Unit tests for filters (no DFNs needed). + 2. Spec tests: build_component_spec() against real DFNs, parametrized per tier. + 3. End-to-end: make_all() produces importable Python files. + +To add a new tier: + - Add the DFN names to the appropriate TIER_* list. + - Add a TestTier*ComponentSpec class parametrized over those names. + - Add assertions specific to that tier's expected base class / extras. +""" + +import importlib.util +import sys +from pathlib import Path + +import pytest +from modflow_devtools.dfns import load_flat +from modflow_devtools.dfns.dfn2toml import convert as dfn2toml +from modflow_devtools.dfns.schema.v2 import FieldV2 + +from flopy4.mf6.component import COMPONENTS +from flopy4.mf6.utils.codegen.filters import ( + can_expand_record, + class_name, + is_generatable, + model_abbr, + module_name, + output_path, + py_type, + safe_name, + spec_call, +) +from flopy4.mf6.utils.codegen.make import build_component_spec, make_all + + +# Shared fixtures +@pytest.fixture(scope="session") +def v2_dfn_dir(dfn_path, tmp_path_factory): + """Convert the session-level v1 DFN directory to v2 TOML once.""" + v2dir = tmp_path_factory.mktemp("dfn_v2") + dfn2toml(dfn_path, v2dir) + return v2dir + + +@pytest.fixture(scope="session") +def all_dfns(v2_dfn_dir): + """Load all v2 DFNs as a flat dict.""" + return load_flat(v2_dfn_dir) + + +# Simple tier: Package subclasses with only scalars, arrays, and path records. +# No complex record types, no extra methods, no custom base classes. +SIMPLE_TIER = { + "gwf-ic": ("Ic", "Package"), + "gwf-npf": ("Npf", "Package"), + "gwf-sto": ("Sto", "Package"), + "gwf-chd": ("Chd", "Package"), + "gwf-wel": ("Wel", "Package"), + "gwf-drn": ("Drn", "Package"), + "gwf-rch": ("Rch", "Package"), + "gwf-ghb": ("Ghb", "Package"), + "gwf-evta": ("Evta", "Package"), + "gwf-oc": ("Oc", "Package"), + # Tier 1: same patterns as simple tier, newly generated + "gwf-riv": ("Riv", "Package"), + "gwf-api": ("Api", "Package"), + "gwf-ghbg": ("Ghbg", "Package"), + "gwf-rivg": ("Rivg", "Package"), + "gwf-chdg": ("Chdg", "Package"), + "gwf-drng": ("Drng", "Package"), + "gwf-welg": ("Welg", "Package"), + # Tier 2: nseg-1 dropped from dims (repeated columns per row, like naux) + "gwf-evt": ("Evt", "Package"), + # Tier 5: list sub-tables exploded into column arrays + "gwf-buy": ("Buy", "Package"), + "gwf-vsc": ("Vsc", "Package"), + "gwf-mvr": ("Mvr", "Package"), + # Tier 6: compressible storage and horizontal flow barrier + # (gwf-sfr, gwf-maw excluded: keystring period settings silently absent) + # (gwf-uzf excluded: duplicated ifno attribute and not currently functional) + "gwf-csub": ("Csub", "Package"), + "gwf-hfb": ("Hfb", "Package"), +} + +# Transport model packages: gwt-ist (immobile storage transport, multi=True). +TRANSPORT_TIER = { + "gwt-ist": ("Ist", "Package", "gwt"), +} + +# Utility packages (utl/), including utl-tas with 3 inner record classes. +UTL_TIER = { + "utl-ats": ("Ats", "Package"), + "utl-laktab": ("Laktab", "Package"), + "utl-ncf": ("Ncf", "Package"), + "utl-sfrtab": ("Sfrtab", "Package"), + "utl-spca": ("Spca", "Package"), + "utl-tas": ("Tas", "Package"), +} + +# Exchange packages (exg/) — only zero-field (pass-only) classes. +# Packages with cellidm1/cellidm2 fields (gwfgwf, gwegwe, gwtgwt, olfgwf, chfgwf) +# are excluded: ncelldim resolution is not yet implemented in the ingress/egress layers. +EXG_TIER = { + "exg-gwfgwe": ("Gwfgwe", "Package"), + "exg-gwfgwt": ("Gwfgwt", "Package"), + "exg-gwfprt": ("Gwfprt", "Package"), +} + +SOLUTION_TIER = { + "sln-ims": ("Ims", "Solution", "ims"), + "sln-ems": ("Ems", "Solution", "ems"), + "sln-pts": ("Pts", "Solution", "pts"), +} + +# Future tiers (not yet implemented): +# DIS_TIER = {"gwf-dis": ("Dis", "DisBase"), ...} +# TDIS_TIER = {"sim-tdis": ("Tdis", "Package"), ...} + + +# Layer 1: Filter unit tests (no DFNs required) +class TestFilters: + """Unit tests for Python-side filter functions.""" + + @pytest.mark.parametrize( + "dfn_name, expected", + [ + ("gwf-ic", "Ic"), + ("sln-ims", "Ims"), + ("sim-tdis", "Tdis"), + ("gwf-chd", "Chd"), + ], + ) + def test_class_name(self, dfn_name, expected): + assert class_name(dfn_name) == expected + + @pytest.mark.parametrize( + "dfn_name, expected", + [ + ("gwf-ic", "ic"), + ("sln-ims", "ims"), + ("sim-tdis", "tdis"), + ], + ) + def test_module_name(self, dfn_name, expected): + assert module_name(dfn_name) == expected + + @pytest.mark.parametrize( + "dfn_name, expected", + [ + ("gwf-ic", "gwf"), + ("sln-ims", None), + ("sim-nam", None), + ("gwf-npf", "gwf"), + ], + ) + def test_model_abbr(self, dfn_name, expected): + assert model_abbr(dfn_name) == expected + + @pytest.mark.parametrize( + "dfn_name, rel_path", + [ + ("gwf-ic", "gwf/ic.py"), + ("sln-ims", "ims.py"), + ("sim-tdis", "tdis.py"), + ], + ) + def test_output_path(self, dfn_name, rel_path): + root = Path("/root") + assert output_path(dfn_name, root) == root / rel_path + + @pytest.mark.parametrize( + "name, expected", + [ + ("steady-state", "steady_state"), + ("type", "type_"), + ("print", "print_"), + ("nlay", "nlay"), + ("grb6_filename", "grb6_filename"), + ], + ) + def test_safe_name(self, name, expected): + assert safe_name(name) == expected + + @pytest.mark.parametrize( + "ftype, shape, optional, expected", + [ + ("keyword", None, False, "bool"), + ("keyword", None, True, "bool"), # keywords never Optional + ("integer", None, False, "int"), + ("integer", None, True, "Optional[int]"), + ("double", None, False, "float"), + ("double precision", None, False, "float"), + ("string", None, False, "str"), + ("double", "(nodes)", False, "NDArray[np.float64]"), + ("integer", "(nodes)", True, "Optional[NDArray[np.int64]]"), + ("keyword", "(nper)", True, "Optional[NDArray[np.bool_]]"), + ], + ) + def test_py_type(self, ftype, shape, optional, expected): + f = FieldV2(name="x", type=ftype, block="options", shape=shape, optional=optional) + assert py_type(f) == expected + + @pytest.mark.parametrize( + "ftype, shape", + [ + ("double", "(nodes)"), + ("integer", "(nodes)"), + ("keyword", "(nodes)"), + ], + ) + def test_py_type_period_array_always_optional(self, ftype, shape): + """Period arrays get Optional even when DFN marks them required.""" + f = FieldV2(name="x", type=ftype, block="period", shape=shape, optional=False) + result = py_type(f) + assert result.startswith( + "Optional[" + ), f"Expected Optional for period {ftype} array but got {result!r}" + + @pytest.mark.parametrize( + "ftype, shape, generatable", + [ + ("keyword", None, True), + ("double", "(nodes)", True), + ("integer", None, True), + ("string", None, True), + ("record", None, False), # plain record — not yet supported + ("recarray", None, False), + ("keystring", None, False), + ], + ) + def test_is_generatable(self, ftype, shape, generatable): + f = FieldV2(name="x", type=ftype, block="options", shape=shape) + assert is_generatable(f) == generatable + + def test_is_generatable_file_record(self): + """A record with a filein/fileout child is generatable as a path.""" + child_in = FieldV2(name="filein", type="keyword", block="options") + f = FieldV2( + name="my_filerecord", + type="record", + block="options", + children={"filein": child_in}, + ) + assert is_generatable(f) + + @pytest.mark.parametrize( + "ftype, shape, check", + [ + ("keyword", None, lambda s: s.startswith("field(")), + ("double", "(nodes)", lambda s: s.startswith("array(")), + ("integer", "(nper)", lambda s: s.startswith("array(")), + ], + ) + def test_spec_call_prefix(self, ftype, shape, check): + f = FieldV2(name="x", type=ftype, block="options", shape=shape) + assert check(spec_call(f)) + + def test_spec_call_file_record(self): + child = FieldV2(name="fileout", type="keyword", block="options") + f = FieldV2( + name="budget_filerecord", + type="record", + block="options", + children={"fileout": child}, + ) + call = spec_call(f) + assert 'inout="fileout"' in call + assert "to_path" in call + + +# Layer 2: ComponentSpec tests against real DFNs +@pytest.mark.parametrize( + "dfn_name,expected_class,expected_base", + [(k, v[0], v[1]) for k, v in SIMPLE_TIER.items()], +) +class TestSimpleTierComponentSpec: + """Verify build_component_spec() for each simple-tier DFN.""" + + def _get_dfn(self, dfn_name, all_dfns): + if dfn_name not in all_dfns: + pytest.skip(f"{dfn_name} not available in DFN set") + return all_dfns[dfn_name] + + def test_class_name(self, dfn_name, expected_class, expected_base, all_dfns): + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=Path("/fake")) + assert spec.class_name == expected_class + + def test_base_class(self, dfn_name, expected_class, expected_base, all_dfns): + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=Path("/fake")) + assert spec.base_class == expected_base + + def test_has_fields(self, dfn_name, expected_class, expected_base, all_dfns): + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=Path("/fake")) + assert len(spec.fields) > 0 + + def test_imports_include_base(self, dfn_name, expected_class, expected_base, all_dfns): + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=Path("/fake")) + all_imports = "\n".join( + spec.imports.get("stdlib", []) + + spec.imports.get("third_party", []) + + spec.imports.get("flopy4", []) + ) + assert "xattree" in all_imports + assert "Package" in all_imports + + def test_outpath(self, dfn_name, expected_class, expected_base, all_dfns): + root = Path("/fake/mf6") + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=root) + assert spec.outpath == root / "gwf" / f"{expected_class.lower()}.py" + + +# Layer 2: Solution-tier ComponentSpec tests +@pytest.mark.parametrize( + "dfn_name,expected_class,expected_base,expected_slntype", + [(k, v[0], v[1], v[2]) for k, v in SOLUTION_TIER.items()], +) +class TestSolutionTierComponentSpec: + """Verify build_component_spec() for each solution-tier DFN.""" + + def _get_dfn(self, dfn_name, all_dfns): + if dfn_name not in all_dfns: + pytest.skip(f"{dfn_name} not available in DFN set") + return all_dfns[dfn_name] + + def test_class_name(self, dfn_name, expected_class, expected_base, expected_slntype, all_dfns): + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=Path("/fake")) + assert spec.class_name == expected_class + + def test_base_class(self, dfn_name, expected_class, expected_base, expected_slntype, all_dfns): + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=Path("/fake")) + assert spec.base_class == expected_base + + def test_slntype(self, dfn_name, expected_class, expected_base, expected_slntype, all_dfns): + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=Path("/fake")) + assert spec.slntype == expected_slntype + + def test_outpath(self, dfn_name, expected_class, expected_base, expected_slntype, all_dfns): + root = Path("/fake/mf6") + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=root) + assert spec.outpath == root / f"{expected_class.lower()}.py" + + def test_imports_include_solution( + self, dfn_name, expected_class, expected_base, expected_slntype, all_dfns + ): + dfn = self._get_dfn(dfn_name, all_dfns) + spec = build_component_spec(dfn, root=Path("/fake")) + all_imports = "\n".join( + spec.imports.get("stdlib", []) + + spec.imports.get("third_party", []) + + spec.imports.get("flopy4", []) + ) + assert "xattree" in all_imports + assert "Solution" in all_imports + assert "ClassVar" in all_imports + + +# Layer 2b: List-field expansion +def test_mvr_list_fields_expanded_and_optional(all_dfns): + """gwf-mvr list sub-tables should expand into per-column FieldSpecs, all Optional.""" + if "gwf-mvr" not in all_dfns: + pytest.skip("gwf-mvr not in DFN set") + spec = build_component_spec(all_dfns["gwf-mvr"], root=Path("/fake")) + field_map = {f.py_name: f for f in spec.fields} + + # Period block columns (from perioddata list field) + period_cols = ["pname1", "id1", "pname2", "id2", "mvrtype", "value"] + for col in period_cols: + assert col in field_map, f"Expected expanded column '{col}' in MVR fields" + ann = field_map[col].type_annotation + assert ann.startswith( + "Optional[" + ), f"Expanded list column '{col}' should be Optional but got {ann!r}" + assert field_map[col].generatable, f"Expanded column '{col}' should be generatable" + + # Packages block columns (from packages list field) + pkg_cols = ["pname", "mname"] + for col in pkg_cols: + assert col in field_map, f"Expected expanded column '{col}' in MVR fields" + assert field_map[col].type_annotation.startswith("Optional[") + + +# Layer 2c: Compound record expansion +def test_can_expand_record_all_keywords(all_dfns): + """A record whose children are all keyword type (like cvoptions) is expandable.""" + if "gwf-npf" not in all_dfns: + pytest.skip("gwf-npf not in DFN set") + cvoptions = all_dfns["gwf-npf"].blocks["options"]["cvoptions"] + assert can_expand_record(cvoptions) + + +def test_can_expand_record_with_positional_required_data(all_dfns): + """A record with required scalar+keyword children (rewet_record) generates an inner class.""" + if "gwf-npf" not in all_dfns: + pytest.skip("gwf-npf not in DFN set") + from flopy4.mf6.utils.codegen.filters import can_generate_record_class + + rewet_record = all_dfns["gwf-npf"].blocks["options"]["rewet_record"] + assert not can_expand_record(rewet_record) + assert can_generate_record_class(rewet_record) + + +def test_rcloserecord_generates_inner_class(all_dfns): + """rcloserecord has a tagged scalar first child (not keyword): generates an inner class.""" + if "sln-ims" not in all_dfns: + pytest.skip("sln-ims not in DFN set") + from flopy4.mf6.utils.codegen.filters import can_generate_record_class + + rcloserecord = all_dfns["sln-ims"].blocks["linear"]["rcloserecord"] + assert can_generate_record_class(rcloserecord) + + +def test_ims_compound_records_expanded(all_dfns): + """sln-ims: rcloserecord and no_ptcrecord both become inner classes.""" + if "sln-ims" not in all_dfns: + pytest.skip("sln-ims not in DFN set") + spec = build_component_spec(all_dfns["sln-ims"], root=Path("/fake")) + field_map = {f.py_name: f for f in spec.fields} + + # rcloserecord: tagged scalar first child, no keyword trigger → inner class with _keyword="" + assert "rcloserecord" in field_map, "rcloserecord should generate as inner class parent field" + assert field_map["rcloserecord"].generatable + assert field_map["rcloserecord"].type_annotation == "Optional[Rclose]" + assert any(r.class_name == "Rclose" for r in spec.inner_classes) + + # inner_rclose is now inside Rclose, not a standalone flat field + assert "inner_rclose" not in field_map, "inner_rclose should not be a standalone field" + + # no_ptcrecord has trigger keyword + optional string child → inner class + assert "no_ptcrecord" in field_map, "no_ptcrecord should generate as inner class parent field" + assert field_map["no_ptcrecord"].generatable + assert field_map["no_ptcrecord"].type_annotation == "Optional[NoPtc]" + assert any(r.class_name == "NoPtc" for r in spec.inner_classes) + + # no_ptc is the inner class trigger keyword, not a standalone flat field + assert "no_ptc" not in field_map, "no_ptc should not be a standalone field" + + # no partial TODOs for either record + todo_names = {f.dfn_name for f in spec.fields if not f.generatable} + assert "rcloserecord" not in todo_names + assert "no_ptcrecord" not in todo_names + + +def test_npf_compound_records_expanded(all_dfns): + """gwf-npf: cvoptions/xt3doptions/rewet_record all become inner classes.""" + if "gwf-npf" not in all_dfns: + pytest.skip("gwf-npf not in DFN set") + spec = build_component_spec(all_dfns["gwf-npf"], root=Path("/fake")) + field_map = {f.py_name: f for f in spec.fields} + class_names = {r.class_name for r in spec.inner_classes} + + # cvoptions (variablecv + dewatered) → inner class, not flat bools + assert "cvoptions" in field_map and field_map["cvoptions"].generatable + assert field_map["cvoptions"].type_annotation == "Optional[Cvoptions]" + assert "Cvoptions" in class_names + assert "variablecv" not in field_map + assert "dewatered" not in field_map + + # xt3doptions (xt3d + rhs) → inner class, not flat bools + assert "xt3doptions" in field_map and field_map["xt3doptions"].generatable + assert field_map["xt3doptions"].type_annotation == "Optional[Xt3doptions]" + assert "Xt3doptions" in class_names + assert "xt3d" not in field_map + assert "rhs" not in field_map + + # rewet_record has trigger keyword + required tagged scalar children → inner class + assert "rewet_record" in field_map and field_map["rewet_record"].generatable + assert field_map["rewet_record"].type_annotation == "Optional[Rewet]" + assert "Rewet" in class_names + + # No TODOs in NPF options now + todo_names = {f.dfn_name for f in spec.fields if not f.generatable} + assert "rewet_record" not in todo_names + + +# Layer 3: End-to-end generation +def test_simple_tier_generates_importable_files(v2_dfn_dir, tmp_path, all_dfns): + """Run make_all() and verify each simple-tier file is importable with the right class.""" + (tmp_path / "gwf").mkdir() + + skip = {n for n in load_flat(v2_dfn_dir) if n not in SIMPLE_TIER} + specs = make_all(dfndir=v2_dfn_dir, outdir=tmp_path, fmt=False, skip=skip) + + generated = {s.dfn_name: s for s in specs} + + for dfn_name, (expected_class, _) in SIMPLE_TIER.items(): + if dfn_name not in all_dfns: + continue # not in this DFN set, skip gracefully + if dfn_name not in generated: + pytest.fail(f"{dfn_name} was expected but not generated") + + spec = generated[dfn_name] + assert spec.outpath.exists(), f"Missing {spec.outpath}" + + mod_name = f"_codegen_test.{expected_class.lower()}" + mod_spec = importlib.util.spec_from_file_location(mod_name, spec.outpath) + mod = importlib.util.module_from_spec(mod_spec) + + # Snapshot COMPONENTS and sys.modules before loading so that the + # generated class's __init_subclass__ registration doesn't leak + # into the shared registry used by other tests. + components_snapshot = dict(COMPONENTS) + sys_modules_keys = set(sys.modules) + try: + mod_spec.loader.exec_module(mod) + finally: + COMPONENTS.clear() + COMPONENTS.update(components_snapshot) + for key in set(sys.modules) - sys_modules_keys: + del sys.modules[key] + + assert hasattr(mod, expected_class), f"Class {expected_class} not found in {spec.outpath}" + + +def test_solution_tier_generates_importable_files(v2_dfn_dir, tmp_path, all_dfns): + """Run make_all() and verify each solution-tier file is importable with Solution base.""" + from flopy4.mf6.solution import Solution + + skip = {n for n in load_flat(v2_dfn_dir) if n not in SOLUTION_TIER} + specs = make_all(dfndir=v2_dfn_dir, outdir=tmp_path, fmt=False, skip=skip) + + generated = {s.dfn_name: s for s in specs} + + for dfn_name, (expected_class, _, expected_slntype) in SOLUTION_TIER.items(): + if dfn_name not in all_dfns: + continue + if dfn_name not in generated: + pytest.fail(f"{dfn_name} was expected but not generated") + + spec = generated[dfn_name] + assert spec.outpath.exists(), f"Missing {spec.outpath}" + + mod_name = f"_codegen_test_sln.{expected_class.lower()}" + mod_spec = importlib.util.spec_from_file_location(mod_name, spec.outpath) + mod = importlib.util.module_from_spec(mod_spec) + + components_snapshot = dict(COMPONENTS) + sys_modules_keys = set(sys.modules) + try: + mod_spec.loader.exec_module(mod) + finally: + COMPONENTS.clear() + COMPONENTS.update(components_snapshot) + for key in set(sys.modules) - sys_modules_keys: + del sys.modules[key] + + assert hasattr(mod, expected_class), f"Class {expected_class} not found in {spec.outpath}" + cls = getattr(mod, expected_class) + assert issubclass(cls, Solution), f"{expected_class} should subclass Solution" + assert ( + cls.slntype == expected_slntype + ), f"{expected_class}.slntype expected {expected_slntype!r}, got {cls.slntype!r}" + + +def _load_class_from_spec(spec, mod_name: str, expected_class: str): + """Generate, load, and return the class from a ComponentSpec. Cleans up module state.""" + mod_spec = importlib.util.spec_from_file_location(mod_name, spec.outpath) + mod = importlib.util.module_from_spec(mod_spec) + components_snapshot = dict(COMPONENTS) + sys_modules_keys = set(sys.modules) + try: + mod_spec.loader.exec_module(mod) + assert hasattr(mod, expected_class), f"Class {expected_class} not found in {spec.outpath}" + return getattr(mod, expected_class) + finally: + COMPONENTS.clear() + COMPONENTS.update(components_snapshot) + for key in set(sys.modules) - sys_modules_keys: + del sys.modules[key] + + +def test_transport_tier_generates_importable_files(v2_dfn_dir, tmp_path, all_dfns): + """gwt-disv, gwt-ist, gwe-disv generate importable Package subclasses.""" + for subdir in ("gwt", "gwe"): + (tmp_path / subdir).mkdir() + + target = {n for n in TRANSPORT_TIER if n in all_dfns} + skip = {n for n in load_flat(v2_dfn_dir) if n not in target} + specs = make_all(dfndir=v2_dfn_dir, outdir=tmp_path, fmt=False, skip=skip) + generated = {s.dfn_name: s for s in specs} + + from flopy4.mf6.package import Package + + for dfn_name, (expected_class, _, subdir) in TRANSPORT_TIER.items(): + if dfn_name not in all_dfns: + continue + assert dfn_name in generated, f"{dfn_name} was not generated" + spec = generated[dfn_name] + assert spec.outpath == tmp_path / subdir / f"{expected_class.lower()}.py" + cls = _load_class_from_spec(spec, f"_codegen_test_transport.{dfn_name}", expected_class) + assert issubclass(cls, Package) + + +def test_utl_tier_generates_importable_files(v2_dfn_dir, tmp_path, all_dfns): + """utl-* packages generate importable Package subclasses (including utl-tas inner classes).""" + (tmp_path / "utl").mkdir() + + target = {n for n in UTL_TIER if n in all_dfns} + skip = {n for n in load_flat(v2_dfn_dir) if n not in target} + specs = make_all(dfndir=v2_dfn_dir, outdir=tmp_path, fmt=False, makedirs=True, skip=skip) + generated = {s.dfn_name: s for s in specs} + + from flopy4.mf6.package import Package + + for dfn_name, (expected_class, _) in UTL_TIER.items(): + if dfn_name not in all_dfns: + continue + assert dfn_name in generated, f"{dfn_name} was not generated" + spec = generated[dfn_name] + assert spec.outpath == tmp_path / "utl" / f"{expected_class.lower()}.py" + cls = _load_class_from_spec(spec, f"_codegen_test_utl.{dfn_name}", expected_class) + assert issubclass(cls, Package) + + +def test_exg_tier_generates_importable_files(v2_dfn_dir, tmp_path, all_dfns): + """exg-* packages generate importable Package subclasses (including 0-field pass-only).""" + (tmp_path / "exg").mkdir() + + target = {n for n in EXG_TIER if n in all_dfns} + skip = {n for n in load_flat(v2_dfn_dir) if n not in target} + specs = make_all(dfndir=v2_dfn_dir, outdir=tmp_path, fmt=False, makedirs=True, skip=skip) + generated = {s.dfn_name: s for s in specs} + + from flopy4.mf6.package import Package + + for dfn_name, (expected_class, _) in EXG_TIER.items(): + if dfn_name not in all_dfns: + continue + assert dfn_name in generated, f"{dfn_name} was not generated" + spec = generated[dfn_name] + assert spec.outpath == tmp_path / "exg" / f"{expected_class.lower()}.py" + cls = _load_class_from_spec(spec, f"_codegen_test_exg.{dfn_name}", expected_class) + assert issubclass(cls, Package) diff --git a/test/test_mf6_component.py b/test/test_mf6_component.py index 1729cedc..675c0328 100644 --- a/test/test_mf6_component.py +++ b/test/test_mf6_component.py @@ -19,12 +19,16 @@ def test_registry(): + from flopy4.mf6.gwt.ic import Ic as GwtIc + assert COMPONENTS["simulation"] is Simulation assert COMPONENTS["tdis"] is Tdis assert COMPONENTS["gwf"] is Gwf - assert COMPONENTS["npf"] is Npf - assert COMPONENTS["ic"] is Ic - assert COMPONENTS["oc"] is Oc + # Qualified keys are deterministic regardless of import order. + assert COMPONENTS["gwf-npf"] is Npf + assert COMPONENTS["gwf-ic"] is Ic + assert COMPONENTS["gwt-ic"] is GwtIc + assert COMPONENTS["gwf-oc"] is Oc def test_init_empty_sim(): diff --git a/test/test_mf6_integration.py b/test/test_mf6_integration.py index 9f50b2da..33c48f1c 100644 --- a/test/test_mf6_integration.py +++ b/test/test_mf6_integration.py @@ -5,8 +5,48 @@ import numpy as np import xarray as xr +from flopy4.mf6 import Ems, GwfGwe, GwfGwt from flopy4.mf6.constants import FILL_DNODATA -from flopy4.mf6.gwf import Chd, Chdg, Dis, Disv, Ghb, Gwf, Ic, Npf, Oc, Sto +from flopy4.mf6.gwe import Adv as GweAdv +from flopy4.mf6.gwe import Cnd as GweCnd +from flopy4.mf6.gwe import Ctp as GweCtp +from flopy4.mf6.gwe import Dis as GweDis +from flopy4.mf6.gwe import Esl as GweEsl +from flopy4.mf6.gwe import Est as GweEst +from flopy4.mf6.gwe import Gwe +from flopy4.mf6.gwe import Ic as GweIc +from flopy4.mf6.gwe import Ssm as GweSsm +from flopy4.mf6.gwf import ( + Buy, + Chd, + Chdg, + Dis, + Disv, + Drn, + Evt, + Evta, + Ghb, + Gwf, + Ic, + Mvr, + Npf, + Oc, + Rch, + Rcha, + Riv, + Sto, + Vsc, + Wel, +) +from flopy4.mf6.gwt import Adv as GwtAdv +from flopy4.mf6.gwt import Cnc as GwtCnc +from flopy4.mf6.gwt import Dis as GwtDis +from flopy4.mf6.gwt import Dsp as GwtDsp +from flopy4.mf6.gwt import Gwt +from flopy4.mf6.gwt import Ic as GwtIc +from flopy4.mf6.gwt import Mst as GwtMst +from flopy4.mf6.gwt import Src as GwtSrc +from flopy4.mf6.gwt import Ssm as GwtSsm from flopy4.mf6.ims import Ims from flopy4.mf6.simulation import Simulation from flopy4.mf6.utils.time import Time @@ -27,7 +67,7 @@ def test_gwf_chd01(function_tmpdir): under_relaxation="none", inner_maximum=300, inner_dvclose=1.00000000e-06, - inner_rclose=1.00000000e-06, + rcloserecord=Ims.Rclose(inner_rclose=1.00000000e-06), linear_acceleration="cg", relaxation_factor=1.0, scaling_method="none", @@ -215,7 +255,7 @@ def test_gwf_disv_uzf(function_tmpdir): under_relaxation="dbd", inner_maximum=300, inner_dvclose=1.00000000e-09, - inner_rclose=1.00000000e-03, + rcloserecord=Ims.Rclose(inner_rclose=1.00000000e-03), linear_acceleration="bicgstab", relaxation_factor=0.97000000, scaling_method="none", @@ -774,3 +814,918 @@ def test_quickstart_netcdf_mesh(function_tmpdir): # requires mf6 extended to run # sim.run() + + +def test_gwf_wel(function_tmpdir): + """1-layer, 1-row, 10-col model with a single pumping well in the middle.""" + sim_name = "gwf_wel" + gwf_name = "gwf_wel" + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + ims = Ims( + filename="sln1.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="cg", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"ims": ims}, + ) + + dis = Dis(nlay=1, nrow=1, ncol=10, delr=10.0, delc=10.0, top=10.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=dis, name=gwf_name) + ic = Ic(parent=gwf, strt=5.0) + npf = Npf(parent=gwf, icelltype=0, k=1.0) + oc = Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + chd = Chd(parent=gwf, head={0: {(0, 0, 0): 5.0, (0, 0, 9): 5.0}}, name="chd-1") + wel = Wel(parent=gwf, q={0: {(0, 0, 4): -1.0}}, name="wel-1") + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwf_name}.wel").is_file() + + +def test_gwf_drn(function_tmpdir): + """1-layer, 1-row, 10-col model with drain cells at one end.""" + sim_name = "gwf_drn" + gwf_name = "gwf_drn" + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + ims = Ims( + filename="sln1.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="cg", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"ims": ims}, + ) + + dis = Dis(nlay=1, nrow=1, ncol=10, delr=10.0, delc=10.0, top=10.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=dis, name=gwf_name) + ic = Ic(parent=gwf, strt=5.0) + npf = Npf(parent=gwf, icelltype=0, k=1.0) + oc = Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + chd = Chd(parent=gwf, head={0: {(0, 0, 0): 5.0}}, name="chd-1") + drn = Drn( + parent=gwf, + elev={0: {(0, 0, 9): 4.0}}, + cond={0: {(0, 0, 9): 100.0}}, + name="drn-1", + ) + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwf_name}.drn").is_file() + + +def test_gwf_riv(function_tmpdir): + """1-layer, 1-row, 10-col model with river cells along one end.""" + sim_name = "gwf_riv" + gwf_name = "gwf_riv" + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + ims = Ims( + filename="sln1.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="cg", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"ims": ims}, + ) + + dis = Dis(nlay=1, nrow=1, ncol=10, delr=10.0, delc=10.0, top=10.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=dis, name=gwf_name) + ic = Ic(parent=gwf, strt=3.0) + npf = Npf(parent=gwf, icelltype=0, k=1.0) + oc = Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + chd = Chd(parent=gwf, head={0: {(0, 0, 0): 3.0}}, name="chd-1") + riv = Riv( + parent=gwf, + stage={0: {(0, 0, 9): 5.0}}, + cond={0: {(0, 0, 9): 100.0}}, + rbot={0: {(0, 0, 9): 2.0}}, + name="riv-1", + ) + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwf_name}.riv").is_file() + + +def test_gwf_rch(function_tmpdir): + """1-layer, 1-row, 10-col model with uniform recharge (stress-package form).""" + sim_name = "gwf_rch" + gwf_name = "gwf_rch" + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + ims = Ims( + filename="sln1.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="cg", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"ims": ims}, + ) + + dis = Dis(nlay=1, nrow=1, ncol=10, delr=10.0, delc=10.0, top=10.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=dis, name=gwf_name) + ic = Ic(parent=gwf, strt=1.0) + npf = Npf(parent=gwf, icelltype=0, k=1.0) + oc = Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + chd = Chd( + parent=gwf, + head={0: {(0, 0, 0): 1.0, (0, 0, 9): 1.0}}, + name="chd-1", + ) + rch = Rch( + parent=gwf, + recharge={0: {(0, 0, i): 1e-3 for i in range(10)}}, + name="rch-1", + ) + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwf_name}.rch").is_file() + + +def test_gwf_rcha(function_tmpdir): + """1-layer, 1-row, 10-col model with uniform recharge (array-based form).""" + sim_name = "gwf_rcha" + gwf_name = "gwf_rcha" + nrow, ncol = 1, 10 + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + ims = Ims( + filename="sln1.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="cg", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"ims": ims}, + ) + + dis = Dis(nlay=1, nrow=nrow, ncol=ncol, delr=10.0, delc=10.0, top=10.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=dis, name=gwf_name) + ic = Ic(parent=gwf, strt=1.0) + npf = Npf(parent=gwf, icelltype=0, k=1.0) + oc = Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + chd = Chd( + parent=gwf, + head={0: {(0, 0, 0): 1.0, (0, 0, 9): 1.0}}, + name="chd-1", + ) + rcha = Rcha( + parent=gwf, + recharge=np.full((1, nrow * ncol), 1e-3), + name="rcha-1", + ) + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwf_name}.rcha").is_file() + + +def test_gwf_evt(function_tmpdir): + """1-layer, 1-row, 10-col model with ET (stress-package form).""" + sim_name = "gwf_evt" + gwf_name = "gwf_evt" + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + ims = Ims( + filename="sln1.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="cg", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"ims": ims}, + ) + + dis = Dis(nlay=1, nrow=1, ncol=10, delr=10.0, delc=10.0, top=10.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=dis, name=gwf_name) + ic = Ic(parent=gwf, strt=8.0) + npf = Npf(parent=gwf, icelltype=0, k=1.0) + oc = Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + chd = Chd( + parent=gwf, + head={0: {(0, 0, 0): 8.0, (0, 0, 9): 8.0}}, + name="chd-1", + ) + evt = Evt( + parent=gwf, + surface={0: {(0, 0, i): 10.0 for i in range(10)}}, + rate={0: {(0, 0, i): 1e-3 for i in range(10)}}, + depth={0: {(0, 0, i): 4.0 for i in range(10)}}, + name="evt-1", + ) + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwf_name}.evt").is_file() + + +def test_gwf_evta(function_tmpdir): + """1-layer, 1-row, 10-col model with ET (array-based form).""" + sim_name = "gwf_evta" + gwf_name = "gwf_evta" + nrow, ncol = 1, 10 + ncpl = nrow * ncol + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + ims = Ims( + filename="sln1.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="cg", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"ims": ims}, + ) + + dis = Dis(nlay=1, nrow=nrow, ncol=ncol, delr=10.0, delc=10.0, top=10.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=dis, name=gwf_name) + ic = Ic(parent=gwf, strt=8.0) + npf = Npf(parent=gwf, icelltype=0, k=1.0) + oc = Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + chd = Chd( + parent=gwf, + head={0: {(0, 0, 0): 8.0, (0, 0, 9): 8.0}}, + name="chd-1", + ) + evta = Evta( + parent=gwf, + surface=np.full((1, ncpl), 10.0), + rate=np.full((1, ncpl), 1e-3), + depth=np.full((1, ncpl), 4.0), + name="evta-1", + ) + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwf_name}.evta").is_file() + + +def test_gwf_mvr(function_tmpdir): + """Verify MVR file writing: PACKAGES block (string arrays) and PERIOD block (tabular records). + + Write-only: MF6 is not run because a valid MVR simulation requires at least one + advanced package (SFR, LAK, MAW, or UZF) as a receiver. Standard boundary packages + (WEL, DRN, CHD, etc.) call pakmvrobj%ar with nreceivers=0 and cannot receive water + from MVR. None of those advanced packages are implemented yet in this branch. + + The assertions verify the MVR file format, including the string array fields + (pname1, pname2, mvrtype) that require special handling in the period block + unstructurer. + """ + sim_name = "gwf_mvr" + gwf_name = "gwf_mvr" + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + ims = Ims( + filename="sln1.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="cg", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"ims": ims}, + ) + + dis = Dis(nlay=1, nrow=1, ncol=10, delr=10.0, delc=10.0, top=10.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=dis, name=gwf_name) + ic = Ic(parent=gwf, strt=5.0) + npf = Npf(parent=gwf, icelltype=0, k=1.0) + oc = Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + # xattree appends the 0-based index for list-typed children, so Chd/Wel/Drn + # get auto-names chd0/wel0/drn0. Explicit name= would be mangled (e.g. "wel-1" -> "wel-10"). + chd = Chd(parent=gwf, head={0: {(0, 0, 0): 5.0, (0, 0, 9): 5.0}}) + # mover=True writes MOVER keyword to OPTIONS block so MF6 allocates IMOVER + wel = Wel(parent=gwf, mover=True, q={0: {(0, 0, 4): -1.0}}) + drn = Drn( + parent=gwf, + mover=True, + elev={0: {(0, 0, 4): 4.0}}, + cond={0: {(0, 0, 4): 100.0}}, + ) + + # MVR PACKAGES block lists participating packages by auto-assigned xattree name. + # PERIOD block uses object-dtype string arrays (pname1, pname2, mvrtype) which + # require the is_tabular check in _unstructure_block_param to be written correctly. + mvr = Mvr( + parent=gwf, + maxpackages=2, + maxmvr=1, + pname=np.array(["wel0", "drn0"]), + pname1=np.array(["wel0"]), + id1=np.array([1], dtype=np.int64), + pname2=np.array(["drn0"]), + id2=np.array([1], dtype=np.int64), + mvrtype=np.array(["FACTOR"]), + value=np.array([0.5]), + name="mvr", + ) + + sim.write() + + mvr_path = Path(function_tmpdir, f"{gwf_name}.mvr") + assert mvr_path.is_file() + content = mvr_path.read_text() + + # PACKAGES block must come before PERIOD block + assert content.index("BEGIN PACKAGES") < content.index("BEGIN PERIOD") + + # PACKAGES block: both packages listed (from pname array) + assert "wel0" in content + assert "drn0" in content + + # PERIOD block: full record with all six columns in order + # (pname1 id1 pname2 id2 mvrtype value) + assert "wel0 1 drn0 1 FACTOR 0.5" in content + + +def test_gwt_basic(function_tmpdir): + """1D GWF+GWT coupled test: advection-dispersion transport in a uniform flow field. + + Exercises ic, adv, mst, dsp, cnc packages and the GwfGwt exchange. + """ + sim_name = "gwt_basic" + gwf_name = "gwf" + gwt_name = "gwt" + nlay, nrow, ncol = 1, 1, 10 + + time = Time(perlen=[10.0], nstp=[10], tsmult=[1.0], time_units="days") + + ims_gwf = Ims( + filename="gwf.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="bicgstab", + ) + ims_gwt = Ims( + filename="gwt.ims", + models=[gwt_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="bicgstab", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"gwf_ims": ims_gwf, "gwt_ims": ims_gwt}, + ) + + # GWF model: uniform left-to-right flow + gwf_dis = Dis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=1.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=gwf_dis, name=gwf_name) + Ic(parent=gwf, strt=1.0) + Npf(parent=gwf, icelltype=0, k=1.0) + Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + Chd(parent=gwf, head={0: {(0, 0, 0): 1.0, (0, 0, ncol - 1): 0.0}}, name="chd-1") + + # GWF-GWT exchange + GwfGwt(parent=sim, name="gwfgwt", exgmnamea=gwf_name, exgmnameb=gwt_name) + + # GWT model: tracer introduced at left boundary + gwt_dis = GwtDis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=1.0, botm=0.0) + gwt = Gwt(parent=sim, dis=gwt_dis, name=gwt_name) + GwtIc(parent=gwt, strt=0.0) + GwtSsm(parent=gwt) + GwtAdv(parent=gwt, scheme="upstream") + GwtMst(parent=gwt, porosity=0.3) + GwtDsp(parent=gwt, xt3d_off=True, diffc=0.0, alh=0.1, alv=0.1, ath1=0.0) + GwtCnc(parent=gwt, conc={0: {(0, 0, 0): 1.0}}, name="cnc-1") + GwtSrc(parent=gwt, smassrate={0: {(0, 0, 5): 1e-4}}, name="src-1") + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwt_name}.ic").is_file() + assert Path(function_tmpdir, f"{gwt_name}.cnc").is_file() + assert Path(function_tmpdir, f"{gwt_name}.src").is_file() + + # exgfile=None triggers default_filename() → "{exchange_name}.exg" + mfsim = Path(function_tmpdir, "mfsim.nam").read_text() + assert "gwfgwt.exg" in mfsim + + +def test_gwe_basic(function_tmpdir): + """1D GWF+GWE coupled test: heat transport in a uniform flow field. + + Exercises ic, adv, est, cnd, ctp packages and the GwfGwe exchange. + """ + sim_name = "gwe_basic" + gwf_name = "gwf" + gwe_name = "gwe" + nlay, nrow, ncol = 1, 1, 10 + + time = Time(perlen=[10.0], nstp=[10], tsmult=[1.0], time_units="days") + + ims_gwf = Ims( + filename="gwf.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="bicgstab", + ) + ims_gwe = Ims( + filename="gwe.ims", + models=[gwe_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="bicgstab", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"gwf_ims": ims_gwf, "gwe_ims": ims_gwe}, + ) + + # GWF model: uniform left-to-right flow + gwf_dis = Dis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=1.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=gwf_dis, name=gwf_name) + Ic(parent=gwf, strt=1.0) + Npf(parent=gwf, icelltype=0, k=1.0) + Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + Chd(parent=gwf, head={0: {(0, 0, 0): 1.0, (0, 0, ncol - 1): 0.0}}, name="chd-1") + + # GWF-GWE exchange + GwfGwe(parent=sim, name="gwfgwe", exgmnamea=gwf_name, exgmnameb=gwe_name) + + # GWE model: heat tracer introduced at left boundary + gwe_dis = GweDis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=1.0, botm=0.0) + gwe = Gwe(parent=sim, dis=gwe_dis, name=gwe_name) + GweIc(parent=gwe, strt=0.0) + GweSsm(parent=gwe) + GweAdv(parent=gwe, scheme="upstream") + GweEst(parent=gwe, porosity=0.3, heat_capacity_solid=800.0, density_solid=2700.0) + GweCnd(parent=gwe, ktw=0.58, kts=3.0) + GweCtp(parent=gwe, temp={0: {(0, 0, 0): 1.0}}, name="ctp-1") + GweEsl(parent=gwe, senerrate={0: {(0, 0, 5): 1e-4}}, name="esl-1") + + sim.write() + sim.run() + + assert Path(function_tmpdir, f"{gwe_name}.ic").is_file() + assert Path(function_tmpdir, f"{gwe_name}.ctp").is_file() + assert Path(function_tmpdir, f"{gwe_name}.esl").is_file() + + # exgfile=None triggers default_filename() → "{exchange_name}.exg" + mfsim = Path(function_tmpdir, "mfsim.nam").read_text() + assert "gwfgwe.exg" in mfsim + + +def test_gwf_buy(function_tmpdir): + """GWF+GWT with variable-density (BUY) package. + + Exercises the packagedata block tier: BUY links GWF density to GWT + concentration via an auxiliary variable on the CHD boundary package. + """ + sim_name = "gwf_buy" + gwf_name = "gwf" + gwt_name = "gwt" + nlay, nrow, ncol = 1, 1, 10 + + time = Time(perlen=[10.0], nstp=[10], tsmult=[1.0], time_units="days") + + ims_gwf = Ims( + filename="gwf.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="bicgstab", + ) + ims_gwt = Ims( + filename="gwt.ims", + models=[gwt_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="bicgstab", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"gwf_ims": ims_gwf, "gwt_ims": ims_gwt}, + ) + + gwf_dis = Dis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=1.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=gwf_dis, name=gwf_name) + Ic(parent=gwf, strt=1.0) + Npf(parent=gwf, icelltype=0, k=1.0) + Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + # CHD with auxiliary "conc" so BUY can read concentration per stress record + Chd( + parent=gwf, + auxiliary=["conc"], + head={0: {(0, 0, 0): 1.0, (0, 0, ncol - 1): 0.0}}, + aux={0: {(0, 0, 0): 0.0, (0, 0, ncol - 1): 0.0}}, + name="chd-1", + ) + Buy( + parent=gwf, + nrhospecies=1, + irhospec=np.array([1], dtype=np.int64), + drhodc=np.array([0.7143]), + crhoref=np.array([0.0]), + modelname=np.array([gwt_name], dtype=object), + auxspeciesname=np.array(["conc"], dtype=object), + ) + + GwfGwt(parent=sim, name="gwfgwt", exgmnamea=gwf_name, exgmnameb=gwt_name) + + gwt_dis = GwtDis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=1.0, botm=0.0) + gwt = Gwt(parent=sim, dis=gwt_dis, name=gwt_name) + GwtIc(parent=gwt, strt=0.0) + GwtSsm(parent=gwt) + GwtAdv(parent=gwt, scheme="upstream") + GwtMst(parent=gwt, porosity=0.3) + GwtCnc(parent=gwt, conc={0: {(0, 0, 0): 1.0}}, name="cnc-1") + + sim.write() + + buy_input = Path(function_tmpdir, f"{gwf_name}.buy") + assert buy_input.is_file() + content = buy_input.read_text() + assert "BEGIN PACKAGEDATA" in content + assert gwt_name in content + assert "conc" in content + # Verify row format: all five columns on one line (irhospec drhodc crhoref modelname auxspeciesname) # noqa: E501 + assert any( + gwt_name in line and "conc" in line for line in content.splitlines() + ), "PACKAGEDATA row should have all columns on one line" + + +def test_gwf_vsc(function_tmpdir): + """GWF+GWE with variable-viscosity (VSC) package. + + Exercises the packagedata block tier: VSC links GWF viscosity to GWE + temperature via an auxiliary variable on the CHD boundary package. + """ + sim_name = "gwf_vsc" + gwf_name = "gwf" + gwe_name = "gwe" + nlay, nrow, ncol = 1, 1, 10 + + time = Time(perlen=[10.0], nstp=[10], tsmult=[1.0], time_units="days") + + ims_gwf = Ims( + filename="gwf.ims", + models=[gwf_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="bicgstab", + ) + ims_gwe = Ims( + filename="gwe.ims", + models=[gwe_name], + print_option="summary", + outer_dvclose=1e-6, + outer_maximum=100, + inner_maximum=300, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-6), + linear_acceleration="bicgstab", + ) + + sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name=sim_name, + solutions={"gwf_ims": ims_gwf, "gwe_ims": ims_gwe}, + ) + + gwf_dis = Dis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=1.0, botm=0.0) + gwf = Gwf(parent=sim, save_flows=True, dis=gwf_dis, name=gwf_name) + Ic(parent=gwf, strt=1.0) + Npf(parent=gwf, icelltype=0, k=1.0) + Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + # CHD with auxiliary "temperature" so VSC can read temp per stress record + Chd( + parent=gwf, + auxiliary=["temperature"], + head={0: {(0, 0, 0): 1.0, (0, 0, ncol - 1): 0.0}}, + aux={0: {(0, 0, 0): 20.0, (0, 0, ncol - 1): 20.0}}, + name="chd-1", + ) + Vsc( + parent=gwf, + viscref=8.904e-4, + thermal_formulation="nonlinear", + temperature_species_name="temperature", + nviscspecies=1, + iviscspec=np.array([1], dtype=np.int64), + dviscdc=np.array([0.0]), + cviscref=np.array([20.0]), + modelname=np.array([gwe_name], dtype=object), + auxspeciesname=np.array(["temperature"], dtype=object), + ) + + GwfGwe(parent=sim, name="gwfgwe", exgmnamea=gwf_name, exgmnameb=gwe_name) + + gwe_dis = GweDis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=1.0, botm=0.0) + gwe = Gwe(parent=sim, dis=gwe_dis, name=gwe_name) + GweIc(parent=gwe, strt=20.0) + GweSsm(parent=gwe) + GweAdv(parent=gwe, scheme="upstream") + GweEst(parent=gwe, porosity=0.3, heat_capacity_solid=800.0, density_solid=2700.0) + GweCnd(parent=gwe, ktw=0.58, kts=3.0) + GweCtp(parent=gwe, temp={0: {(0, 0, 0): 40.0}}, name="ctp-1") + + sim.write() + + vsc_input = Path(function_tmpdir, f"{gwf_name}.vsc") + assert vsc_input.is_file() + content = vsc_input.read_text() + assert "BEGIN PACKAGEDATA" in content + assert gwe_name in content + assert "temperature" in content + # Verify row format: all five columns on one line (iviscspec dviscdc cviscref modelname auxspeciesname) # noqa: E501 + assert any( + gwe_name in line and "temperature" in line for line in content.splitlines() + ), "PACKAGEDATA row should have all columns on one line" + assert Path(function_tmpdir, f"{gwe_name}.ctp").is_file() + + +def test_prt_basic(function_tmpdir): + """1-layer, 1-row, 5-col GWF+PRT: verify PRT file writing and run. + + PRT's FMI reads head/budget from a prior GWF run, so two separate simulations + are used: GWF runs first to produce .hds/.cbc, then PRT reads them via FMI. + NPF requires save_specific_discharge and save_saturation for particle tracking. + + PRP is not included: cellid is a 2D field (nreleasepts, ncelldim) not yet + supported by the codegen-generated Prp class. PRT runs successfully with no + release points (no particles tracked, empty track output). + """ + from flopy4.mf6.prt import Dis as PrtDis + from flopy4.mf6.prt import Fmi, Mip, Prt + from flopy4.mf6.prt import Oc as PrtOc + + gwf_name = "gwf_prt" + prt_name = "prt_prt" + nlay, nrow, ncol = 1, 1, 5 + + time = Time(perlen=[1.0], nstp=[1], tsmult=[1.0], time_units="days") + + # --- GWF simulation --- + gwf_sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name="gwf_sim", + solutions={ + "ims": Ims( + filename="gwf.ims", + models=[gwf_name], + outer_dvclose=1e-6, + outer_maximum=50, + inner_maximum=100, + inner_dvclose=1e-6, + rcloserecord=Ims.Rclose(inner_rclose=1e-3), + linear_acceleration="cg", + ) + }, + ) + dis = Dis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=10.0, botm=0.0) + gwf = Gwf(parent=gwf_sim, save_flows=True, dis=dis, name=gwf_name) + Ic(parent=gwf, strt=5.0) + # save_specific_discharge and save_saturation required by PRT for particle tracking + Npf( + parent=gwf, + icelltype=0, + k=1.0, + save_flows=True, + save_specific_discharge=True, + save_saturation=True, + ) + Oc( + parent=gwf, + budget_file=f"{gwf_name}.cbc", + head_file=f"{gwf_name}.hds", + save_head=["last"], + save_budget=["last"], + ) + Chd(parent=gwf, head={0: {(0, 0, 0): 5.0, (0, 0, 4): 3.0}}) + gwf_sim.write() + gwf_sim.run() + + # --- PRT simulation (reads GWF output via FMI) --- + prt_sim = Simulation( + tdis=time, + workspace=function_tmpdir, + name="prt_sim", + solutions={"ems": Ems(filename="prt.ems", models=[prt_name])}, + ) + prt_dis = PrtDis(nlay=nlay, nrow=nrow, ncol=ncol, delr=1.0, delc=1.0, top=10.0, botm=0.0) + prt = Prt(parent=prt_sim, dis=prt_dis, name=prt_name) + Mip(parent=prt, porosity=0.3) + Fmi( + parent=prt, + gwfhead=Path(f"{gwf_name}.hds"), + gwfbudget=Path(f"{gwf_name}.cbc"), + ) + PrtOc(parent=prt, track_filerecord=f"{prt_name}.trk", trackcsv_filerecord=f"{prt_name}.trk.csv") + prt_sim.write() + prt_sim.run() + + # Verify PRT files written and FMI format correct + fmi_path = Path(function_tmpdir, f"{prt_name}.fmi") + oc_path = Path(function_tmpdir, f"{prt_name}.oc") + assert fmi_path.is_file() + assert oc_path.is_file() + + fmi_content = fmi_path.read_text() + assert "GWFHEAD" in fmi_content + assert "GWFBUDGET" in fmi_content + assert "FILEIN" in fmi_content + + oc_content = oc_path.read_text() + assert "TRACK FILEOUT" in oc_content