From 52bffaf820f9e0bfe020b11180604bd95274cada Mon Sep 17 00:00:00 2001 From: wpbonelli Date: Mon, 2 Jun 2025 21:41:38 -0400 Subject: [PATCH 1/2] component filename, default fmt ascii, revert sim path -> workspace --- docs/examples/quickstart.py | 2 +- docs/examples/quickstart_expanded.py | 2 +- flopy4/mf6/__init__.py | 4 +- flopy4/mf6/component.py | 18 +- flopy4/mf6/exchange.py | 9 +- flopy4/mf6/gwf/dis.py | 1 + flopy4/mf6/simulation.py | 42 +++-- pixi.lock | 254 ++++++++++++++------------- test/test_component.py | 4 +- uv.lock | 40 +++-- 10 files changed, 204 insertions(+), 172 deletions(-) diff --git a/docs/examples/quickstart.py b/docs/examples/quickstart.py index 36b09c24..fc6a24cd 100644 --- a/docs/examples/quickstart.py +++ b/docs/examples/quickstart.py @@ -13,7 +13,7 @@ workspace = Path(__file__).parent / name time = ModelTime(perlen=[1.0], nstp=[1]) grid = StructuredGrid(nlay=1, nrow=10, ncol=10) -sim = Simulation(name=name, path=workspace, tdis=time) +sim = Simulation(name=name, workspace=workspace, tdis=time) ims = Ims(parent=sim) gwf_name = "mymodel" gwf = Gwf(parent=sim, name=gwf_name, save_flows=True, dis=grid) diff --git a/docs/examples/quickstart_expanded.py b/docs/examples/quickstart_expanded.py index dffbc008..1d53e24f 100644 --- a/docs/examples/quickstart_expanded.py +++ b/docs/examples/quickstart_expanded.py @@ -31,7 +31,7 @@ ws = "./mymodel" name = "mymodel" -sim = Simulation(name=name, path=ws, exe="mf6") +sim = Simulation(name=name, workspace=ws, exe="mf6") tdis = Tdis(sim) gwf = Gwf(sim, name=name, save_flows=True) dis = Dis(gwf, nrow=10, ncol=10) diff --git a/flopy4/mf6/__init__.py b/flopy4/mf6/__init__.py index 005f7665..daaa6d5d 100644 --- a/flopy4/mf6/__init__.py +++ b/flopy4/mf6/__init__.py @@ -7,8 +7,8 @@ def _default_filename(component: Component) -> str: """Default path for a component, based on its name.""" - if hasattr(component, "filename") and component.filename is not None: - return component.filename + if filename := component.filename: + return filename name = component.name # type: ignore cls_name = component.__class__.__name__.lower() return f"{name}.{cls_name}" diff --git a/flopy4/mf6/component.py b/flopy4/mf6/component.py index 94d2f8a8..20449683 100644 --- a/flopy4/mf6/component.py +++ b/flopy4/mf6/component.py @@ -4,14 +4,16 @@ from modflow_devtools.dfn import Dfn, Field from xattree import xattree -from flopy4.mf6.spec import fields_dict, to_dfn_field +from flopy4.mf6.spec import field, fields_dict, to_dfn_field from flopy4.uio import IO, Loader, Writer COMPONENTS = {} """MF6 component registry.""" -@xattree +# kw_only=True necessary so we can define optional fields here +# and required fields in subclasses. attrs complains otherwise +@xattree(kw_only=True) class Component(ABC, MutableMapping): """ Base class for MF6 components. @@ -22,11 +24,14 @@ class Component(ABC, MutableMapping): We use the `children` attribute provided by `xattree`. We know children are also `Component`s, but mypy does not. TODO: fix?? + Then we can remove the `# type: ignore` comments. """ _load = IO(Loader) # type: ignore _write = IO(Writer) # type: ignore + filename: str = field(default=None) + @classmethod def __attrs_init_subclass__(cls): COMPONENTS[cls.__name__.lower()] = cls @@ -49,13 +54,14 @@ def __len__(self): @classmethod def get_dfn(cls) -> Dfn: + """Generate the component's MODFLOW 6 definition.""" fields = {field_name: to_dfn_field(field) for field_name, field in fields_dict(cls).items()} blocks: dict[str, dict[str, Field]] = {} - for field_name, field in fields.items(): - if (block := field.get("block", None)) is not None: - blocks.setdefault(block, {})[field_name] = field + for field_name, field_ in fields.items(): + if (block := field_.get("block", None)) is not None: + blocks.setdefault(block, {})[field_name] = field_ else: - blocks[field_name] = field + blocks[field_name] = field_ return Dfn( name=cls.__name__.lower(), diff --git a/flopy4/mf6/exchange.py b/flopy4/mf6/exchange.py index 1c8aca16..ca0ccb57 100644 --- a/flopy4/mf6/exchange.py +++ b/flopy4/mf6/exchange.py @@ -1,3 +1,4 @@ +from abc import ABC from pathlib import Path from typing import Optional @@ -7,8 +8,10 @@ @xattree -class Exchange(Package): - exgtype: type = field() - exgfile: Path = field() +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 exgmnamea: Optional[str] = field(default=None) exgmnameb: Optional[str] = field(default=None) diff --git a/flopy4/mf6/gwf/dis.py b/flopy4/mf6/gwf/dis.py index 6ab569b4..ca74892b 100644 --- a/flopy4/mf6/gwf/dis.py +++ b/flopy4/mf6/gwf/dis.py @@ -75,6 +75,7 @@ class Dis(Package): ) def __attrs_post_init__(self): + super().__attrs_post_init__() self.nnodes = self.ncol * self.nrow * self.nlay def to_grid(self) -> StructuredGrid: diff --git a/flopy4/mf6/simulation.py b/flopy4/mf6/simulation.py index 2644f8f8..26b9ea6b 100644 --- a/flopy4/mf6/simulation.py +++ b/flopy4/mf6/simulation.py @@ -1,15 +1,16 @@ from os import PathLike from pathlib import Path -from typing import ClassVar +from warnings import warn from flopy.discretization.modeltime import ModelTime from modflow_devtools.misc import cd, run_cmd -from xattree import field, xattree +from xattree import xattree from flopy4.mf6.component import Component from flopy4.mf6.exchange import Exchange from flopy4.mf6.model import Model from flopy4.mf6.solution import Solution +from flopy4.mf6.spec import field from flopy4.mf6.tdis import Tdis @@ -27,20 +28,35 @@ class Simulation(Component): exchanges: dict[str, Exchange] = field() solutions: dict[str, Solution] = field() tdis: Tdis = field(converter=convert_time) - # TODO: decorator for components bound - # to some directory or file path? - path: Path = field(default=None) - filename: ClassVar[str] = "mfsim.nam" + workspace: Path = field(default=None) + filename: str = field(default="mfsim.nam") + + def __attrs_post_init__(self): + super().__attrs_post_init__() + if self.filename != "mfsim.nam": + warn( + "Simulation filename must be 'mfsim.nam'.", + UserWarning, + ) + self.filename = "mfsim.nam" + + @property + def path(self) -> Path: + """Return the path to the simulation namefile.""" + if self.workspace is None: + raise ValueError("Simulation has no workspace path.") + return Path(self.workspace).expanduser().resolve() / self.filename @property def time(self) -> ModelTime: + """Return the simulation time discretization.""" return self.tdis.to_time() def run(self, exe: str | PathLike = "mf6", verbose: bool = False) -> None: """Run the simulation using the given executable.""" - if self.path is None: + if self.workspace is None: raise ValueError(f"Simulation {self.name} has no workspace path.") - 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flopy4/mf6/interface/flopy3.py | 3 ++- flopy4/mf6/simulation.py | 22 +++++----------------- 6 files changed, 45 insertions(+), 45 deletions(-) create mode 100644 flopy4/mf6/context.py diff --git a/flopy4/mf6/__init__.py b/flopy4/mf6/__init__.py index daaa6d5d..760e61e5 100644 --- a/flopy4/mf6/__init__.py +++ b/flopy4/mf6/__init__.py @@ -1,30 +1,8 @@ -from pathlib import Path - from flopy4.mf6.codec import dump, load from flopy4.mf6.component import Component from flopy4.uio import DEFAULT_REGISTRY - -def _default_filename(component: Component) -> str: - """Default path for a component, based on its name.""" - if filename := component.filename: - return filename - name = component.name # type: ignore - cls_name = component.__class__.__name__.lower() - return f"{name}.{cls_name}" - - -def _path(component: Component) -> str: - """Default path for a component, based on its name.""" - if hasattr(component, "path") and component.path is not None: - path = Path(component.path).expanduser().resolve() - if path.is_dir(): - return str(path / _default_filename(component)) - return str(path) - return _default_filename(component) - - -DEFAULT_REGISTRY.register_loader(Component, "ascii", lambda component: load(_path(component))) -DEFAULT_REGISTRY.register_writer( - Component, "ascii", lambda component: dump(component, _path(component)) -) +# register io methods +# TODO: call this "mf6" or something? since it might include binary files +DEFAULT_REGISTRY.register_loader(Component, "ascii", lambda c: load(c.path)) +DEFAULT_REGISTRY.register_writer(Component, "ascii", lambda c: dump(c, c.path)) diff --git a/flopy4/mf6/component.py b/flopy4/mf6/component.py index 20449683..c18acb1d 100644 --- a/flopy4/mf6/component.py +++ b/flopy4/mf6/component.py @@ -1,5 +1,6 @@ from abc import ABC from collections.abc import MutableMapping +from pathlib import Path from modflow_devtools.dfn import Dfn, Field from xattree import xattree @@ -32,11 +33,24 @@ class Component(ABC, MutableMapping): filename: str = field(default=None) + @property + def path(self) -> Path: + return Path.cwd() / self.filename + + def _default_filename(self) -> str: + name = self.name # type: ignore + cls_name = self.__class__.__name__.lower() + return f"{name}.{cls_name}" + @classmethod def __attrs_init_subclass__(cls): COMPONENTS[cls.__name__.lower()] = cls cls.dfn = cls.get_dfn() + def __attrs_post_init__(self): + if not self.filename: + self.filename = self._default_filename() + def __getitem__(self, key): return self.children[key] # type: ignore diff --git a/flopy4/mf6/context.py b/flopy4/mf6/context.py new file mode 100644 index 00000000..737031e6 --- /dev/null +++ b/flopy4/mf6/context.py @@ -0,0 +1,20 @@ +from abc import ABC +from pathlib import Path + +from xattree import xattree + +from flopy4.mf6.component import Component +from flopy4.mf6.spec import field + + +@xattree +class Context(Component, ABC): + workspace: Path = field(default=None) + + def __attrs_post_init__(self): + if self.workspace is None: + self.workspace = Path.cwd() + + @property + def path(self) -> Path: + return self.workspace / self.filename diff --git a/flopy4/mf6/gwf/dis.py b/flopy4/mf6/gwf/dis.py index ca74892b..6ab569b4 100644 --- a/flopy4/mf6/gwf/dis.py +++ b/flopy4/mf6/gwf/dis.py @@ -75,7 +75,6 @@ class Dis(Package): ) def __attrs_post_init__(self): - super().__attrs_post_init__() self.nnodes = self.ncol * self.nrow * self.nlay def to_grid(self) -> StructuredGrid: diff --git a/flopy4/mf6/interface/flopy3.py b/flopy4/mf6/interface/flopy3.py index e102b3e8..f0be4807 100644 --- a/flopy4/mf6/interface/flopy3.py +++ b/flopy4/mf6/interface/flopy3.py @@ -1,5 +1,6 @@ import re from typing import Optional +from warnings import warn import numpy as np from flopy.datbase import DataInterface, DataListInterface, DataType @@ -332,7 +333,7 @@ def data_type(self): return DataType.array3d # TODO: boundname, auxvar arrays of strings? case _: - raise Exception(f"UNMATCHED data_type {self._name}: {self._spec.type.__name__}") + warn(f"UNMATCHED data_type {self._name}: {self._spec.type.__name__}", UserWarning) @property def dtype(self): diff --git a/flopy4/mf6/simulation.py b/flopy4/mf6/simulation.py index 26b9ea6b..e4a64864 100644 --- a/flopy4/mf6/simulation.py +++ b/flopy4/mf6/simulation.py @@ -1,12 +1,11 @@ from os import PathLike -from pathlib import Path from warnings import warn from flopy.discretization.modeltime import ModelTime from modflow_devtools.misc import cd, run_cmd from xattree import xattree -from flopy4.mf6.component import Component +from flopy4.mf6.context import Context from flopy4.mf6.exchange import Exchange from flopy4.mf6.model import Model from flopy4.mf6.solution import Solution @@ -23,16 +22,14 @@ def convert_time(value): @xattree -class Simulation(Component): +class Simulation(Context): models: dict[str, Model] = field() exchanges: dict[str, Exchange] = field() solutions: dict[str, Solution] = field() tdis: Tdis = field(converter=convert_time) - workspace: Path = field(default=None) - filename: str = field(default="mfsim.nam") + filename: str = field(default="mfsim.nam", init=False) def __attrs_post_init__(self): - super().__attrs_post_init__() if self.filename != "mfsim.nam": warn( "Simulation filename must be 'mfsim.nam'.", @@ -40,13 +37,6 @@ def __attrs_post_init__(self): ) self.filename = "mfsim.nam" - @property - def path(self) -> Path: - """Return the path to the simulation namefile.""" - if self.workspace is None: - raise ValueError("Simulation has no workspace path.") - return Path(self.workspace).expanduser().resolve() / self.filename - @property def time(self) -> ModelTime: """Return the simulation time discretization.""" @@ -66,10 +56,8 @@ def run(self, exe: str | PathLike = "mf6", verbose: bool = False) -> None: def load(self, format="ascii"): """Load the simulation in the specified format.""" - with cd(self.workspace): - super().load(format) + super().load(format) def write(self, format="ascii"): """Write the simulation in the specified format.""" - with cd(self.workspace): - super().write(format) + super().write(format)