diff --git a/flopy4/structured_grid.py b/flopy4/discretization/structured_grid.py similarity index 100% rename from flopy4/structured_grid.py rename to flopy4/discretization/structured_grid.py diff --git a/flopy4/mf6/codec.py b/flopy4/mf6/codec.py new file mode 100644 index 00000000..03188c1d --- /dev/null +++ b/flopy4/mf6/codec.py @@ -0,0 +1,44 @@ +import sys + +import numpy as np +from jinja2 import Environment, PackageLoader + +from flopy4.mf6 import filters +from flopy4.mf6.component import Component +from flopy4.mf6.spec import blocks_dict, fields_dict +from flopy4.uio import DEFAULT_REGISTRY + +JINJA_ENV = Environment( + loader=PackageLoader("flopy4.mf6"), + trim_blocks=True, + lstrip_blocks=True, +) +JINJA_ENV.filters["field_kind"] = filters.field_kind +JINJA_ENV.filters["fieldvalue"] = filters.fieldvalue +JINJA_ENV.filters["arraydelayed"] = filters.arraydelayed +JINJA_ENV.filters["array2string"] = filters.array2string +JINJA_ENV.filters["is_dict"] = filters.is_dict +JINJA_TEMPLATE_NAME = "blocks.jinja" + + +def _load_ascii(self) -> None: + # TODO + pass + + +def _write_ascii(self) -> None: + cls = type(self) + fields = fields_dict(cls) + blocks = blocks_dict(cls) + template = JINJA_ENV.get_template(JINJA_TEMPLATE_NAME) + iterator = template.generate(fields=fields, blocks=blocks, data=unstructure(self.data)) # type: ignore + # are these printoptions always applicable? + with np.printoptions(precision=4, linewidth=sys.maxsize, threshold=sys.maxsize): + # TODO don't hardcode the filename, maybe a filename attribute? + with open(self.path / self.name, "w") as f: # type: ignore + f.writelines(iterator) + + +# TODO: where to do this? probably not here..on plugin discovery? +DEFAULT_REGISTRY.register_loader(Component, "ascii", _load_ascii) +DEFAULT_REGISTRY.register_writer(Component, "ascii", _write_ascii) diff --git a/flopy4/mf6/component.py b/flopy4/mf6/component.py index eefc09dd..0af0e4e1 100644 --- a/flopy4/mf6/component.py +++ b/flopy4/mf6/component.py @@ -6,6 +6,7 @@ from xattree import xattree from flopy4.mf6.spec import fields_dict +from flopy4.uio import IO, Loader, Writer COMPONENTS = {} """MF6 component registry.""" @@ -13,8 +14,23 @@ @xattree class Component(ABC, MutableMapping): + """ + Base class for MF6 components. + + Notes + ----- + All subclasses of `Component` must be decorated with `xattree`. + + We use the `children` attribute provided by `xattree`. We know + children are also `Component`s, but mypy does not. TODO: fix?? + """ + + _load = IO(Loader) # type: ignore + _write = IO(Writer) # type: ignore + @classmethod def __attrs_init_subclass__(cls): + # add class to the component registry COMPONENTS[cls.__name__.lower()] = cls def __attrs_post_init__(self): @@ -70,11 +86,11 @@ def _to_dfn_spec(attribute: Attribute) -> Var: ) def load(self) -> None: - # TODO: load + self._load(format=format) for child in self.children.values(): # type: ignore child.load() def write(self) -> None: - # TODO: write + self._write(format=format) for child in self.children.values(): # type: ignore child.write() diff --git a/flopy4/mf6/filters.py b/flopy4/mf6/filters.py new file mode 100644 index 00000000..49f351cb --- /dev/null +++ b/flopy4/mf6/filters.py @@ -0,0 +1,50 @@ +from typing import Any + +import numpy as np +import xarray as xr +from attrs import Attribute +from jinja2 import pass_context +from numpy.typing import NDArray + + +def field_kind(field: Attribute) -> str: + """ + Get a field's `xattree` kind. Kind is either: + + - 'child' for child fields + - 'array' for array fields + - 'coord' for coordinate array fields + - 'dim' for integer fields describing a dimension's size + - 'attr' for all other fields + """ + if (meta := field.metadata) is None: + raise TypeError(f"Field {field.name} has no metadata") + if (xatmeta := meta.get("xattree", None)) is None: + raise TypeError(f"Field {field.name} has no xattree metadata") + if "kind" not in xatmeta: + raise TypeError(f"Field {field.name} has no kind") + return xatmeta.get("kind") or "attr" + + +@pass_context +def fieldvalue(ctx, field: Attribute): + """Get a field's value from the data tree via the template context.""" + return ctx["data"].attrs.get(field.name) or ctx["data"].get(field.name) + + +def arraydelayed(value: xr.DataArray): + """Yield chunks (lines) from a Dask array.""" + # TODO: Determine a good chunk size, + # because if the underlying array is only numpy, it will stay one block. + for chunk in value.chunk(): + yield chunk.compute() + + +def array2string(value: NDArray) -> str: + """Convert an array to a string.""" + return np.array2string(value, separator=" ")[1:-1] # remove brackets + + +def is_dict(value: Any) -> bool: + """Check if the value is a dictionary.""" + return isinstance(value, dict) diff --git a/flopy4/mf6/spec.py b/flopy4/mf6/spec.py index 8de8eb5b..a46a8385 100644 --- a/flopy4/mf6/spec.py +++ b/flopy4/mf6/spec.py @@ -141,7 +141,6 @@ def blocks_dict(cls) -> dict[str, Block]: (field) name to `attrs.Attribute`. """ fields = fields_dict(cls) - fields = {k: v for k, v in fields.items() if "block" in v.metadata} blocks: dict[str, Block] = {} for k, v in fields.items(): block = v.metadata["block"] diff --git a/flopy4/mf6/templates/blocks.jinja b/flopy4/mf6/templates/blocks.jinja new file mode 100644 index 00000000..430c524d --- /dev/null +++ b/flopy4/mf6/templates/blocks.jinja @@ -0,0 +1,8 @@ +{% import 'macros.jinja' as macros with context %} +{% for block_name, block_ in blocks.items() %} +BEGIN {{ block_name }} +{% for field in block_.values() %} +{{ macros.field(field) }} +{% endfor %} +END {{ block_name }} +{% endfor %} diff --git a/flopy4/mf6/templates/macros.jinja b/flopy4/mf6/templates/macros.jinja new file mode 100644 index 00000000..98bef7ca --- /dev/null +++ b/flopy4/mf6/templates/macros.jinja @@ -0,0 +1,64 @@ +{% macro field(field) %} +{% set kind = field|field_kind %} +{% if kind == 'attr' %} +{% if field.type|is_dict %} +{{ record(field) }} +{% else %} +{{ scalar(field) }} +{% endif %} +{% elif kind in ['array', 'coord'] %} +{{ array(field) }} +{% elif kind == 'dim' %} +{{ scalar(field) }} +{% elif kind == 'child' %} +{# TODO #} +{% endif %} +{%- endmacro %} + +{% macro scalar(field) %} +{% set value = field|fieldvalue %} +{% if value is not none %} +{{ field.name }} {{ value }} +{% endif %} +{%- endmacro %} + +{% macro keystring(field) %} {# union #} +{% for item in (field|fieldvalue).items() %} +{{ field(item) }} +{% endfor %} +{%- endmacro %} + +{% macro record(field) %} +{% for item in field|fieldvalue %} +{% if item.tagged %}{{ item.name }} {% endif %}{{ field(field) }} +{% endfor %} +{%- endmacro %} + +{% macro array(field, how="internal") %} +{% if how == "layered constant" %} +{{ field.name }} LAYERED +{% for val in field|fieldvalue %} +CONSTANT +{% endfor %} +{% elif how == "constant" %} +{{ field.name }} CONSTANT {{ field|fieldvalue }} +{% elif how == "layered" %} +{% if layered %} +{{ field.name }}{% for val in field|fieldvalue %} {{ val }}{% endfor %} +{% endif %} +{% elif how == "internal" %} +{{ field.name }} {{ internal_array(field) }} +{% elif how == "external" %} +{{ field.name}} OPEN/CLOSE {{ field|fieldvalue }} +{% endif %} +{%- endmacro %} + +{% macro internal_array(field) %} +{% for chunk in field|fieldvalue|arraydelayed %} +{{ chunk|array2string }} +{% endfor %} +{%- endmacro %} + +{% macro list(field) %} +{# TODO #} +{%- endmacro %} diff --git a/flopy4/mf6/utils/cbc_reader.py b/flopy4/mf6/utils/cbc_reader.py index feb76061..932af903 100644 --- a/flopy4/mf6/utils/cbc_reader.py +++ b/flopy4/mf6/utils/cbc_reader.py @@ -12,7 +12,7 @@ from attrs import define from flopy.discretization import StructuredGrid -from flopy4.structured_grid import StructuredGridWrapper +from flopy4.discretization.structured_grid import StructuredGridWrapper from .grid_utils import get_coords diff --git a/flopy4/uio.py b/flopy4/uio.py new file mode 100644 index 00000000..de687acd --- /dev/null +++ b/flopy4/uio.py @@ -0,0 +1,119 @@ +""" +Unified IO framework. Program interfaces can plug in custom +load/write routines for pairs of component class and format. + +Most of this module is stolen/simplified from astropy, at: +- https://github.com/astropy/astropy/tree/main/astropy/io. +""" + +__all__ = ["IO", "Loader", "Writer", "DEFAULT_REGISTRY"] + + +from typing import Literal + + +class Registry: + """ + Registry for IO operations. Loaders and writers + are registered by format and the class they are + associated with. + """ + + def __init__(self): + self._loaders = {} + self._writers = {} + + def get_loader(self, cls, format=None): + return next( + iter( + [ + fn + for ((fmt, cls_), fn) in self._loaders.items() + if fmt == format and issubclass(cls, cls_) + ] + ) + ) + + def get_writer(self, cls, format=None): + return next( + iter( + [ + fn + for ((fmt, cls_), fn) in self._writers.items() + if fmt == format and issubclass(cls, cls_) + ] + ) + ) + + def register_loader(self, cls, format, function): + if format in self._loaders: + raise ValueError(f"Loader for format {format} already registered.") + self._loaders[cls, format] = (cls, function) + + def register_writer(self, cls, format, function): + if format in self._writers: + raise ValueError(f"Writer for format {format} already registered.") + self._writers[cls, format] = (cls, function) + + def load(self, cls, *args, format=None, **kwargs): + return self.get_loader(cls, format)(*args, **kwargs) + + def write(self, cls, *args, format=None, **kwargs): + return self.get_writer(cls, format)(*args, **kwargs) + + +DEFAULT_REGISTRY = Registry() + + +Op = Literal["load", "write"] + + +class IO(property): + """Wrap a file IO descriptor as a property.""" + + def __get__(self, instance, owner_cls): + return self.fget(instance, owner_cls) + + +class IODescriptor: + """Base class for file IO operations, implemented as descriptors.""" + + def __init__(self, instance, cls, op: Op, registry: Registry | None = None): + self._registry = registry or DEFAULT_REGISTRY + self._instance = instance + self._cls = cls + self._op: Op = op + + @property + def registry(self): + return self._registry + + def list_formats(self, out=None): + formats = self._registry.get_formats(self._cls, self._op) + + if out is None: + formats.pprint(max_lines=-1, max_width=-1) + else: + out.write("\n".join(formats.pformat(max_lines=-1, max_width=-1))) + + return out + + +class 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Simulation(tdis=time, path=tmp_path) + gwf = Gwf(parent=sim, dis=grid) + ic = Ic(parent=gwf) + oc = Oc(parent=gwf) + npf = Npf(parent=gwf) + chd = Chd(parent=gwf, head={"*": {(0, 0, 0): 1.0, (0, 9, 9): 0.0}}) + + sim.write("ascii") + + files = Path(tmp_path).glob("*") + assert "mfsim.nam" in files diff --git a/test/test_jinja.py b/test/test_jinja.py new file mode 100644 index 00000000..0be00bf7 --- /dev/null +++ b/test/test_jinja.py @@ -0,0 +1,51 @@ +from pathlib import Path + +from flopy.discretization import StructuredGrid +from flopy.discretization.modeltime import ModelTime +from jinja2 import Environment, PackageLoader + +from flopy4.mf6 import filters +from flopy4.mf6.gwf import Chd, Gwf, Npf, Oc +from flopy4.mf6.ims import Ims +from flopy4.mf6.simulation import Simulation +from flopy4.mf6.spec import blocks_dict, fields_dict + + +def test_simulation_to_jinja(): + name = "quickstart" + 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) + ims = Ims(parent=sim) + gwf_name = "mymodel" + gwf = Gwf(parent=sim, name=gwf_name, save_flows=True, dis=grid) + npf = Npf(parent=gwf, save_specific_discharge=True) + chd = Chd( + parent=gwf, + head={"*": {(0, 0, 0): 1.0, (0, 9, 9): 0.0}}, + ) + oc = Oc( + parent=gwf, + budget_file=f"{gwf.name}.bud", + head_file=f"{gwf.name}.hds", + save_head={"*": "all"}, + save_budget={"*": "all"}, + ) + + env = Environment( + loader=PackageLoader("flopy4.mf6"), + trim_blocks=True, + lstrip_blocks=True, + ) + env.filters["field_kind"] = filters.field_kind + env.filters["fieldvalue"] = filters.fieldvalue + env.filters["arraydelayed"] = filters.arraydelayed + env.filters["array2string"] = filters.array2string + env.filters["is_dict"] = filters.is_dict + + fields = fields_dict(Oc) + blocks = blocks_dict(Oc) + result = env.get_template("blocks.jinja").render(fields=fields, blocks=blocks, data=oc.data) + 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