diff --git a/flopy4/mf6/attr_hooks.py b/flopy4/mf6/attr_hooks.py new file mode 100644 index 00000000..04aac6a0 --- /dev/null +++ b/flopy4/mf6/attr_hooks.py @@ -0,0 +1,53 @@ +"""Attribute hooks for attrs on_setattr callbacks.""" + +import numpy as np +from attrs import fields + +from flopy4.mf6.constants import FILL_DNODATA + + +def update_maxbound(instance, attribute, new_value): + """ + Generalized function to update maxbound when period block arrays change. + + This function automatically finds all period block arrays in the instance + and calculates maxbound based on the maximum number of non-default values + across all arrays. + + Args: + instance: The package instance + attribute: The attribute being set (from attrs on_setattr) + new_value: The new value being set + + Returns: + The new_value (unchanged) + """ + + period_arrays = [] + instance_fields = fields(instance.__class__) + for field in instance_fields: + if field.metadata and field.metadata.get("block") == "period" and "dims" in field.metadata: + period_arrays.append(field.name) + + maxbound_values = [] + for array_name in period_arrays: + if attribute and attribute.name == array_name: + array_val = new_value + else: + array_val = getattr(instance, array_name, None) + + if array_val is not None: + array_data = ( + array_val if array_val.data.shape == array_val.shape else array_val.todense() + ) + + if array_data.dtype.kind in ["U", "S"]: # String arrays + non_default_count = len(np.where(array_data != "")[0]) + else: # Numeric arrays + non_default_count = len(np.where(array_data != FILL_DNODATA)[0]) + + maxbound_values.append(non_default_count) + if maxbound_values: + instance.maxbound = max(maxbound_values) + + return new_value diff --git a/flopy4/mf6/codec/__init__.py b/flopy4/mf6/codec/__init__.py index 74f9c15c..5d4024c6 100644 --- a/flopy4/mf6/codec/__init__.py +++ b/flopy4/mf6/codec/__init__.py @@ -1,90 +1,6 @@ -import sys -from os import PathLike -from typing import Any - -import numpy as np -import xattree -from cattrs import Converter -from jinja2 import Environment, PackageLoader - -from flopy4.mf6 import filters -from flopy4.mf6.codec.converter import ( - unstructure_array, - unstructure_chd, - unstructure_component, - unstructure_oc, - unstructure_tdis, -) - -_JINJA_ENV = Environment( - loader=PackageLoader("flopy4.mf6"), - trim_blocks=True, - lstrip_blocks=True, -) -_JINJA_ENV.filters["dict_blocks"] = filters.dict_blocks -_JINJA_ENV.filters["list_blocks"] = filters.list_blocks -_JINJA_ENV.filters["field_type"] = filters.field_type -_JINJA_ENV.filters["field_value"] = filters.field_value -_JINJA_ENV.filters["array_how"] = filters.array_how -_JINJA_ENV.filters["array_chunks"] = filters.array_chunks -_JINJA_ENV.filters["array2string"] = filters.array2string - -_JINJA_TEMPLATE_NAME = "blocks.jinja" - -_PRINT_OPTIONS = { - "precision": 4, - "linewidth": sys.maxsize, - "threshold": sys.maxsize, -} - - -def _make_converter() -> Converter: - # TODO: document what is converter's responsibility vs Jinja's - # TODO: how can we make sure writing remains lazy for list input? - # don't eagerly unstructure to dict, lazily access from the template? - - from flopy4.mf6.component import Component - from flopy4.mf6.gwf.chd import Chd - from flopy4.mf6.gwf.oc import Oc - from flopy4.mf6.tdis import Tdis - - converter = Converter() - converter.register_unstructure_hook_factory(xattree.has, lambda _: xattree.asdict) - converter.register_unstructure_hook(Component, unstructure_component) - converter.register_unstructure_hook(Tdis, unstructure_tdis) - converter.register_unstructure_hook(Chd, unstructure_chd) - converter.register_unstructure_hook(Oc, unstructure_oc) - return converter - - -_CONVERTER = _make_converter() - - -def loads(data: str) -> Any: - # TODO - pass - - -def load(path: str | PathLike) -> Any: - # TODO - pass - - -def dumps(data) -> str: - template = _JINJA_ENV.get_template(_JINJA_TEMPLATE_NAME) - with np.printoptions(**_PRINT_OPTIONS): # type: ignore - return template.render(dfn=type(data).dfn, data=_CONVERTER.unstructure(data)) - - -def dump(data, path: str | PathLike) -> None: - template = _JINJA_ENV.get_template(_JINJA_TEMPLATE_NAME) - iterator = template.generate(dfn=type(data).dfn, data=_CONVERTER.unstructure(data)) - with np.printoptions(**_PRINT_OPTIONS), open(path, "w") as f: # type: ignore - f.writelines(iterator) - +from flopy4.mf6.codec.writer import dump, dumps, load, loads __all__ = [ - "unstructure_array", "loads", "load", "dumps", diff --git a/flopy4/mf6/codec/converter.py b/flopy4/mf6/codec/converter.py deleted file mode 100644 index acf3c45e..00000000 --- a/flopy4/mf6/codec/converter.py +++ /dev/null @@ -1,154 +0,0 @@ -from typing import Any - -import numpy as np -import sparse -import xattree -from xarray import DataArray - -from flopy4.adapters import get_cellid -from flopy4.mf6.component import Component -from flopy4.mf6.constants import FILL_DNODATA -from flopy4.mf6.spec import get_blocks, is_list_field - - -def unstructure_array(value: DataArray) -> dict: - """ - Convert a dense numpy array or a sparse COO array to a sparse - dictionary representation suitable for serialization into the - MF6 list-based input format. - - The input array must have a time dimension named 'nper', i.e. - it must be stress period data for some MODFLOW 6 component. - - Returns: - dict: {kper: {spatial indices: value, ...}, ...} - """ - if (time_dim := "nper") not in value.dims: - raise ValueError(f"Array must have dimension '{time_dim}'") - if isinstance(value.data, sparse.COO): - coords = value.coords - data = value.data - else: - coords = np.array(np.where(value.data != FILL_DNODATA)).T # type: ignore - data = value.data[tuple(coords.T)] # type: ignore - if not coords.size: # type: ignore - return {} - result = {} - match value.ndim: - case 1: - # Only kper, no spatial dims - for kper, v in zip(coords[:, 0], data): - result[int(kper)] = v - case _: - # kper + spatial dims - for row, v in zip(coords, data): - kper = int(row[0]) # type: ignore - spatial = tuple(int(x) for x in row[1:]) # type: ignore - if kper not in result: - result[kper] = {} - # flatten spatial index if only one spatial dim - key = spatial[0] if len(spatial) == 1 else spatial - result[kper][key] = v - return result - - -def unstructure_component(value: Component) -> dict[str, Any]: - data = xattree.asdict(value) - blocks = get_blocks(value.dfn) - for block in blocks.values(): - for field_name, field in block.items(): - if is_list_field(field): - data[field_name] = unstructure_array(data[field_name]) - return data - - -def unstructure_tdis(value: Any) -> dict[str, Any]: - data = xattree.asdict(value) - blocks = get_blocks(value.dfn) - for block_name, block in blocks.items(): - if block_name == "perioddata": - arrs_d = {} - periods = set() # type: ignore - for field_name in block.keys(): - arr = data.get(field_name, None) - arr_d = {} if arr is None else unstructure_array(arr) - arrs_d[field_name] = arr_d - periods.update(arr_d.keys()) - periods = sorted(periods) # type: ignore - perioddata = {} # type: ignore - for kper in periods: - line = [] - if kper not in perioddata: - perioddata[kper] = [] # type: ignore - for arr_d in arrs_d.values(): - if val := arr_d.get(kper, None): - line.append(val) - perioddata[kper] = tuple(line) - data["perioddata"] = perioddata - return data - - -def unstructure_chd(value: Any) -> dict[str, Any]: - if (parent := value.parent) is None: - raise ValueError( - "CHD cannot be unstructured without a parent " - "model and corresponding grid discretization." - ) - grid = parent.grid - data = xattree.asdict(value) - blocks = get_blocks(value.dfn) - for block_name, block in blocks.items(): - if block_name == "period": - arrs_d = {} - periods = set() # type: ignore - for field_name in block.keys(): - arr = data.get(field_name, None) - arr_d = {} if arr is None else unstructure_array(arr) - arrs_d[field_name] = arr_d - periods.update(arr_d.keys()) - periods = sorted(periods) # type: ignore - perioddata = {} # type: ignore - for kper in periods: - line = [] - if kper not in perioddata: - perioddata[kper] = [] # type: ignore - for arr_d in arrs_d.values(): - if val := arr_d.get(kper, None): - for nn, v in val.items(): - cellid = get_cellid(nn, grid) - line.append((*cellid, v)) - perioddata[kper] = tuple(line) - data["period"] = perioddata - return data - - -def unstructure_oc(value: Any) -> dict[str, Any]: - data = xattree.asdict(value) - blocks = get_blocks(value.dfn) - for block_name, block in blocks.items(): - if block_name == "period": - fields = [] - for field_name, field in block.items(): - action, rtype = field_name.split("_") - fields.append((action, rtype, field_name)) - arrs_d = {} - periods = set() # type: ignore - for action, rtype, field_name in fields: - arr = data.get(field_name, None) - arr_d = {} if arr is None else unstructure_array(arr) - arrs_d[(action, rtype)] = arr_d - periods.update(arr_d.keys()) - periods = sorted(periods) # type: ignore - perioddata = {} # type: ignore - for kper in periods: - if kper not in perioddata: - perioddata[kper] = [] - for (action, rtype), arr_d in arrs_d.items(): - if arr := arr_d.get(kper, None): - perioddata[kper].append((action, rtype, arr)) - data["period"] = perioddata - else: - for field_name, field in block.items(): - if is_list_field(field): - data[field_name] = unstructure_array(data[field_name]) - return data diff --git a/flopy4/mf6/codec/reader/__init__.py b/flopy4/mf6/codec/reader/__init__.py new file mode 100644 index 00000000..e69de29b diff --git a/flopy4/mf6/codec/writer/__init__.py b/flopy4/mf6/codec/writer/__init__.py new file mode 100644 index 00000000..960e4153 --- /dev/null +++ b/flopy4/mf6/codec/writer/__init__.py @@ -0,0 +1,52 @@ +import sys +from os import PathLike +from typing import Any + +import numpy as np +from jinja2 import Environment, PackageLoader + +from flopy4.mf6 import filters + +_JINJA_ENV = Environment( + loader=PackageLoader("flopy4.mf6.codec.writer"), + trim_blocks=True, + lstrip_blocks=True, +) +_JINJA_ENV.filters["dict_blocks"] = filters.dict_blocks +_JINJA_ENV.filters["list_blocks"] = filters.list_blocks +_JINJA_ENV.filters["array_how"] = filters.array_how +_JINJA_ENV.filters["array_chunks"] = filters.array_chunks +_JINJA_ENV.filters["array2string"] = filters.array2string +_JINJA_ENV.filters["field_type"] = filters.field_type +_JINJA_ENV.filters["array2list"] = filters.array2list +_JINJA_ENV.filters["keystring2list"] = filters.keystring2list +_JINJA_ENV.filters["keystring2list_multifield"] = filters.keystring2list_multifield +_JINJA_TEMPLATE_NAME = "blocks.jinja" +_PRINT_OPTIONS = { + "precision": 4, + "linewidth": sys.maxsize, + "threshold": sys.maxsize, +} + + +def loads(data: str) -> Any: + # TODO + pass + + +def load(path: str | PathLike) -> Any: + # TODO + pass + + +def dumps(data) -> str: + template = _JINJA_ENV.get_template(_JINJA_TEMPLATE_NAME) + with np.printoptions(**_PRINT_OPTIONS): # type: ignore + return template.render(data=data) + + +def dump(data, path: str | PathLike) -> None: + template = _JINJA_ENV.get_template(_JINJA_TEMPLATE_NAME) + iterator = template.generate(data=data) + with np.printoptions(**_PRINT_OPTIONS), open(path, "w") as f: # type: ignore + f.writelines(iterator) diff --git a/flopy4/mf6/codec/writer/templates/blocks.jinja b/flopy4/mf6/codec/writer/templates/blocks.jinja new file mode 100644 index 00000000..04f138f5 --- /dev/null +++ b/flopy4/mf6/codec/writer/templates/blocks.jinja @@ -0,0 +1,13 @@ +{% import 'macros.jinja' as macros with context %} +{% for block_name, block_value in (data|dict_blocks).items() %} +BEGIN {{ block_name.upper() }} +{% for field_name, field_value in block_value.items() if (field_value) is not none -%} +{{ macros.field(field_name, field_value) }} +{%- endfor %} +END {{ block_name.upper() }} + +{% endfor %} + +{% for block_name, block_value in (data|list_blocks).items() -%} +{{ macros.list(block_name, block_value, multi=block_name in ["period"]) }} +{%- endfor %} diff --git a/flopy4/mf6/codec/writer/templates/macros.jinja b/flopy4/mf6/codec/writer/templates/macros.jinja new file mode 100644 index 00000000..d9c0ce12 --- /dev/null +++ b/flopy4/mf6/codec/writer/templates/macros.jinja @@ -0,0 +1,87 @@ +{% macro field(name, value) %} +{% set type = value|field_type %} +{% if type in ['keyword', 'integer', 'double precision', 'string'] %} +{{ scalar(name, value) }} +{% elif type == 'record' %} +{{ record(name, value) }} +{% elif type == 'keystring' %} +{{ keystring(name, value) }} +{% elif type == 'recarray' %} +{{ recarray(name, value, how=value|array_how) }} +{% endif %} +{% endmacro %} + +{% macro scalar(name, value) %} +{% set type = value|field_type %} +{% if value is not none %}{{ name.upper() }}{% if type != 'keyword' %} {{ value }}{% endif %}{% endif %} +{% endmacro %} + +{% macro keystring(name, value) %} +{% for item in value.values() -%} +{{ field(item) }} +{%- endfor %} +{% endmacro %} + +{% macro record(name, value) %} +{% if value is mapping %} +{% for item in value.values() -%} +{{ item.name.upper() }} {{ field(item) }} +{%- endfor %} +{% else %} +{{ value|join(" ") }} +{% endif %} +{% endmacro %} + +{% macro recarray(name, value, how="internal") %} +{{ name.upper() }}{% if "layered" in how %} LAYERED{% endif %} + +{% if how == "constant" %} +CONSTANT {{ value.item() }} +{% elif how == "layered constant" %} +{% for layer in value -%} +CONSTANT {{ layer.item() }} +{%- endfor %} +{% elif how == "internal" %} +INTERNAL +{% for chunk in value|array_chunks -%} +{{ chunk|array2string }} +{%- endfor %} +{% elif how == "external" %} +OPEN/CLOSE {{ value }} +{% endif %} +{% endmacro %} + +{% macro list(name, value, multi=False) %} +{% if multi %} +{# iterate through time periods and combine fields #} +{% set field_arrays = {} %} +{% for field_name, field_value in value.items() %} +{% if field_value is not none %} +{% set _ = field_arrays.update({field_name: field_value}) %} +{% endif %} +{% endfor %} + +{% set first_array = field_arrays.values() | list | first %} +{% if first_array is not none %} +{% set nper = first_array.shape[0] %} +{% for period_idx in range(nper) %} +BEGIN {{ name.upper() }} {{ period_idx + 1 }} +{% for row in (field_arrays|keystring2list_multifield(period_idx)) %} +{{ row|join(" ") }} +{% endfor %} +END {{ name.upper() }} {{ period_idx + 1 }} + +{% endfor %} +{% endif %} +{% else %} +{% for field_name, field_value in value.items() %} +{% if field_value is not none %} +BEGIN {{ name.upper() }} +{% for row in (field_value|array2list) %} +{{ row|join(" ") }} +{% endfor %} +END {{ name.upper() }} +{% endif %} +{% endfor %} +{% endif %} +{% endmacro %} diff --git a/flopy4/mf6/converter.py b/flopy4/mf6/converter.py new file mode 100644 index 00000000..eb25f5d7 --- /dev/null +++ b/flopy4/mf6/converter.py @@ -0,0 +1,59 @@ +from datetime import datetime +from pathlib import Path +from typing import Any + +import xattree +from cattrs import Converter + +from flopy4.mf6.component import Component +from flopy4.mf6.spec import get_blocks + + +def _transform_path_to_record(field_name: str, path_value: Path) -> tuple: + """Transform a Path field to its corresponding MF6 record format.""" + # Infer record structure from field name + if field_name.endswith("_file"): + base_name = field_name.replace("_file", "").upper() + return (base_name, "FILEOUT", str(path_value)) + + # Default fallback + return (field_name.upper(), "FILEOUT", str(path_value)) + + +def unstructure_component(value: Component) -> dict[str, Any]: + data = xattree.asdict(value) + blockspec = get_blocks(value.dfn) + blocks: dict[str, dict[str, Any]] = {} + for block_name, block in blockspec.items(): + blocks[block_name] = {} + for field_name in block.keys(): + field_value = data[field_name] + + # Transform Path fields to record format + if isinstance(field_value, Path) and field_value is not None: + field_value = _transform_path_to_record(field_name, field_value) + + # Transform datetime fields to string format + elif isinstance(field_value, datetime) and field_value is not None: + field_value = field_value.isoformat() + + # Transform auxiliary fields to tuple for single-line record format + elif ( + field_name == "auxiliary" + and hasattr(field_value, "values") + and field_value is not None + ): + field_value = tuple(field_value.values.tolist()) + + blocks[block_name][field_name] = field_value + return blocks + + +def _make_converter() -> Converter: + converter = Converter() + converter.register_unstructure_hook_factory(xattree.has, lambda _: xattree.asdict) + converter.register_unstructure_hook(Component, unstructure_component) + return converter + + +COMPONENT_CONVERTER = _make_converter() diff --git a/flopy4/mf6/filters.py b/flopy4/mf6/filters.py index da0a0f2d..75e1858c 100644 --- a/flopy4/mf6/filters.py +++ b/flopy4/mf6/filters.py @@ -1,47 +1,82 @@ from collections.abc import Hashable, Mapping from io import StringIO +from typing import Any import numpy as np +import pandas as pd import xarray as xr -from jinja2 import pass_context -from modflow_devtools.dfn import Dfn, Field from numpy.typing import NDArray -from flopy4.mf6.spec import get_blocks, is_list_block +from flopy4.mf6.constants import FILL_DNODATA -def dict_blocks(dfn: Dfn) -> dict: +def is_list_block(block: dict) -> bool: """ - Get dictionary blocks from an MF6 input definition. A - dictionary block is a standard block which can contain + Check if a block is a list block, which is a block that + contains only one recarray field using list input. + """ + meaningful_fields = {k: v for k, v in block.items() if v is not None} + if len(meaningful_fields) == 0: + return False + + # TODO: how to not hard-code these? + stress_fields = { + "head", + "q", + "elev", + "cond", + "rate", + "flux", + "concentration", + "stage", + "bhead", + "aux", + "boundname", + } + for field_name in meaningful_fields.keys(): + if field_name.lower() not in stress_fields: + return False + return True + + +def dict_blocks(data: dict) -> dict: + """ + Get dictionary blocks: blocks which can contain one or more fields, as opposed to a list block, which may only contain one recarray field, using list input. """ return { - block_name: block - for block_name, block in get_blocks(dfn).items() - if not is_list_block(block) + name: block + for name, block in data.items() + if block is not None and not is_list_block(block) } -def list_blocks(dfn: Dfn) -> dict: +def list_blocks(data: dict) -> dict: + """Get list blocks, which contain only one recarray field.""" return { - block_name: block for block_name, block in get_blocks(dfn).items() if is_list_block(block) + name: block for name, block in data.items() if block is not None and is_list_block(block) } -def field_type(field: Field) -> str: +def field_type(value: Any) -> str: """ Get a field's type as defined by the MODFLOW 6 input definition language: https://modflow6.readthedocs.io/en/stable/_dev/dfn.html#variable-types """ - return field["type"] - - -@pass_context -def field_value(ctx, field: Field): - """Get a field's value via the template context.""" - return ctx["data"][field["name"]] + if isinstance(value, bool): + return "keyword" + if isinstance(value, int): + return "integer" + if isinstance(value, float): + return "double precision" + if isinstance(value, str): + return "string" + if isinstance(value, (dict, tuple)): + return "record" + if isinstance(value, (list, np.ndarray, xr.DataArray)): + return "recarray" + return "keystring" def array_how(value: xr.DataArray) -> str: @@ -67,25 +102,31 @@ def array_chunks(value: xr.DataArray, chunks: Mapping[Hashable, int] | None = No - If the array is 1D or 2D, yield it as a single chunk. """ - if value.chunks is None: - if chunks is None: - match value.ndim: - case 1: - # 1D array, single chunk - chunks = {value.dims[0]: value.shape[0]} - case 2: - # 2D array, single chunk - chunks = {value.dims[0]: value.shape[0], value.dims[1]: value.shape[1]} - case 3: - # 3D array, chunk for each layer - chunks = { - value.dims[0]: 1, - value.dims[1]: value.shape[1], - value.dims[2]: value.shape[2], - } - value = value.chunk(chunks) - for chunk in value.data.blocks: - yield np.squeeze(chunk.compute()) + # Check if it's a dask array (has .blocks attribute) + if hasattr(value.data, "blocks"): + # Dask array - use chunking logic + if value.chunks is None: + if chunks is None: + match value.ndim: + case 1: + # 1D array, single chunk + chunks = {value.dims[0]: value.shape[0]} + case 2: + # 2D array, single chunk + chunks = {value.dims[0]: value.shape[0], value.dims[1]: value.shape[1]} + case 3: + # 3D array, chunk for each layer + chunks = { + value.dims[0]: 1, + value.dims[1]: value.shape[1], + value.dims[2]: value.shape[2], + } + value = value.chunk(chunks) + for chunk in value.data.blocks: + yield np.squeeze(chunk.compute()) + else: + # Regular numpy array - yield as single chunk + yield np.squeeze(value.values) def array2string(value: NDArray) -> str: @@ -112,3 +153,123 @@ def array2string(value: NDArray) -> str: ) np.savetxt(buffer, value, fmt=format, delimiter=" ") return buffer.getvalue().strip() + + +def array2list(value: xr.DataArray, include_zeros: bool = False): + """ + Generator that yields sparse (indices, value, *aux) tuples from a `DataArray`. + Iterates only over meaningful values (excludes zeros, NaN, and `FILL_DNODATA`). + + Parameters + ---------- + value : xr.DataArray + The input array to iterate over sparsely + include_zeros : bool, optional + If True, include zero values in iteration. Default False. + + Yields + ------ + tuple + Tuples of (layer, row, col, value) with 1-based indexing for MF6 + """ + from flopy4.mf6.constants import FILL_DNODATA + + if not include_zeros: + mask = (value != 0) & (value != FILL_DNODATA) & ~np.isnan(value) + else: + mask = (value != FILL_DNODATA) & ~np.isnan(value) + + indices = np.where(mask) + values = value.values[mask] + for i, val in enumerate(values): + idx_1based = tuple(idx[i] + 1 for idx in indices) + yield idx_1based + (val,) + + +def keystring2list(value: xr.DataArray): + """ + Generator for object arrays containing structured data (keystrings). + Yields structured records for non-null entries. + + Parameters + ---------- + value : xr.DataArray + Array with object dtype containing structured data + + Yields + ------ + tuple + Tuples of (layer, row, col, *structured_values) with 1-based indexing + """ + coord_arrays = np.meshgrid(*[np.arange(s) for s in value.shape], indexing="ij") + flat_values = value.values.flat + flat_coords = zip(*[arr.flat for arr in coord_arrays]) + for coords, val in zip(flat_coords, flat_values): + if val is not None and not pd.isna(val): + coords_1based = tuple(c + 1 for c in coords) + if hasattr(val, "_asdict"): # Named tuple + yield coords_1based + tuple(val._asdict().values()) + elif isinstance(val, dict): + yield coords_1based + tuple(val.values()) + else: + yield coords_1based + (val,) + + +def keystring2list_multifield(field_arrays: dict, period_idx: int): + """ + Combines multiple fields (e.g., elev, cond) for a given stress period + + Parameters + ---------- + field_arrays : dict + Dictionary of field_name -> xarray.DataArray + period_idx : int + Time period index (0-based) + + Yields + ------ + tuple + Tuples of (layer, row, col, field1_value, field2_value, ...) + with 1-based indexing + """ + if not field_arrays: + return + + # determine spatial structure from first array + first_field = next(iter(field_arrays.values())) + if not isinstance(first_field, (np.ndarray, xr.DataArray)): + return + + # get period slice + period_slices: dict[str, Any] = {} + for field_name, field_array in field_arrays.items(): + if isinstance(field_array, xr.DataArray): + period_data = field_array.isel(nper=period_idx) + period_slices[field_name] = period_data.values + elif isinstance(field_array, np.ndarray): + period_slices[field_name] = field_array[period_idx] + + # Find all locations where at least one field has meaningful data + combined_mask: Any = None + for field_name, period_data in period_slices.items(): + meaningful_mask = ( + (period_data != 0) & (period_data != FILL_DNODATA) & ~np.isnan(period_data) + ) + if combined_mask is None: + combined_mask = meaningful_mask + else: + combined_mask = combined_mask | meaningful_mask + + if combined_mask is None or not np.any(combined_mask): + return + + indices = np.where(combined_mask) + for i in range(len(indices[0])): + idx_1based = tuple(idx[i] + 1 for idx in indices) + field_values = [] + for field_name in field_arrays.keys(): + period_data = period_slices[field_name] + val = period_data[tuple(idx[i] for idx in indices)] + field_values.append(val) + + yield idx_1based + tuple(field_values) diff --git a/flopy4/mf6/gwf/__init__.py b/flopy4/mf6/gwf/__init__.py index ca2b515b..fa0697c2 100644 --- a/flopy4/mf6/gwf/__init__.py +++ b/flopy4/mf6/gwf/__init__.py @@ -9,14 +9,16 @@ from flopy4.mf6.gwf.chd import Chd from flopy4.mf6.gwf.dis import Dis +from flopy4.mf6.gwf.drn import Drn from flopy4.mf6.gwf.ic import Ic from flopy4.mf6.gwf.npf import Npf from flopy4.mf6.gwf.oc import Oc +from flopy4.mf6.gwf.wel import Wel from flopy4.mf6.model import Model from flopy4.mf6.spec import field from flopy4.mf6.utils import open_cbc, open_hds -__all__ = ["Gwf", "Chd", "Dis", "Ic", "Npf", "Oc"] +__all__ = ["Gwf", "Chd", "Dis", "Drn", "Ic", "Npf", "Oc", "Wel"] def convert_grid(value): @@ -54,6 +56,8 @@ def budget(self): oc: Oc = field() npf: Npf = field() chd: list[Chd] = field() + wel: list[Wel] = field() + drn: list[Drn] = field() output: Output = attrs.field( default=attrs.Factory(lambda self: Gwf.Output(self), takes_self=True) ) diff --git a/flopy4/mf6/gwf/chd.py b/flopy4/mf6/gwf/chd.py index dca220dc..804e0325 100644 --- a/flopy4/mf6/gwf/chd.py +++ b/flopy4/mf6/gwf/chd.py @@ -6,7 +6,7 @@ from numpy.typing import NDArray from xattree import xattree -from flopy4.mf6.constants import FILL_DNODATA +from flopy4.mf6.attr_hooks import update_maxbound from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field @@ -15,7 +15,6 @@ @xattree class Chd(Package): multi_package: ClassVar[bool] = True - auxiliary: Optional[list[str]] = array(block="options", default=None) auxmultname: Optional[str] = field(block="options", default=None) boundnames: bool = field(block="options", default=False) @@ -35,6 +34,7 @@ class Chd(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) aux: Optional[NDArray[np.float64]] = array( block="period", @@ -45,6 +45,7 @@ class Chd(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) boundname: Optional[NDArray[np.str_]] = array( block="period", @@ -55,32 +56,9 @@ class Chd(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) def __attrs_post_init__(self): - # TODO set up on_setattr hooks for period block - # arrays to update maxbound? for now do it here - # in post init. but this only works when values - # are set in the initializer, not when they are - # set later. - if self.head is None: - maxhead = 0 - else: - head = self.head if self.head.data.shape == self.head.shape else self.head.todense() - maxhead = len(np.where(head != FILL_DNODATA)) - if self.aux is None: - maxaux = 0 - else: - aux = self.aux if self.aux.data.shape == self.aux.shape else self.aux.todense() - maxaux = len(np.where(aux != FILL_DNODATA)) - if self.boundname is None: - maxboundname = 0 - else: - boundname = ( - self.boundname - if self.boundname.data.shape == self.boundname.shape - else self.boundname.todense() - ) - maxboundname = len(np.where(boundname != "")) - - self.maxbound = max(maxhead, maxaux, maxboundname) + if self.head is not None or self.aux is not None or self.boundname is not None: + update_maxbound(self, None, None) diff --git a/flopy4/mf6/gwf/dis.py b/flopy4/mf6/gwf/dis.py index e069e31f..b5f8a8e4 100644 --- a/flopy4/mf6/gwf/dis.py +++ b/flopy4/mf6/gwf/dis.py @@ -1,4 +1,5 @@ from typing import Optional + import numpy as np from attrs import Converter from flopy.discretization.structuredgrid import StructuredGrid diff --git a/flopy4/mf6/gwf/drn.py b/flopy4/mf6/gwf/drn.py index ab581730..ea813f0d 100644 --- a/flopy4/mf6/gwf/drn.py +++ b/flopy4/mf6/gwf/drn.py @@ -6,7 +6,7 @@ from numpy.typing import NDArray from xattree import xattree -from flopy4.mf6.constants import FILL_DNODATA +from flopy4.mf6.attr_hooks import update_maxbound from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field @@ -33,6 +33,7 @@ class Drn(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) cond: Optional[NDArray[np.float64]] = array( block="period", @@ -40,6 +41,7 @@ class Drn(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) aux: Optional[NDArray[np.float64]] = array( block="period", @@ -50,6 +52,7 @@ class Drn(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) boundname: Optional[NDArray[np.str_]] = array( block="period", @@ -60,37 +63,14 @@ class Drn(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) def __attrs_post_init__(self): - # TODO set up on_setattr hooks for period block - # arrays to update maxbound? for now do it here - # in post init. but this only works when values - # are set in the initializer, not when they are - # set later. - if self.head is None: - maxhead = 0 - else: - head = self.head if self.head.data.shape == self.head.shape else self.head.todense() - maxhead = len(np.where(head != FILL_DNODATA)) - if self.cond is None: - maxcond = 0 - else: - cond = self.cond if self.cond.data.shape == self.cond.shape else self.cond.todense() - maxcond = len(np.where(cond != FILL_DNODATA)) - if self.aux is None: - maxaux = 0 - else: - aux = self.aux if self.aux.data.shape == self.aux.shape else self.aux.todense() - maxaux = len(np.where(aux != FILL_DNODATA)) - if self.boundname is None: - maxboundname = 0 - else: - boundname = ( - self.boundname - if self.boundname.data.shape == self.boundname.shape - else self.boundname.todense() - ) - maxboundname = len(np.where(boundname != "")) - - self.maxbound = max(maxhead, maxcond, maxaux, maxboundname) + if ( + self.elev is not None + or self.cond is not None + or self.aux is not None + or self.boundname is not None + ): + update_maxbound(self, None, None) diff --git a/flopy4/mf6/gwf/rch.py b/flopy4/mf6/gwf/rch.py index dd25fb84..4eb9a176 100644 --- a/flopy4/mf6/gwf/rch.py +++ b/flopy4/mf6/gwf/rch.py @@ -6,7 +6,7 @@ from numpy.typing import NDArray from xattree import xattree -from flopy4.mf6.constants import FILL_DNODATA +from flopy4.mf6.attr_hooks import update_maxbound from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field @@ -15,7 +15,6 @@ @xattree class Rch(Package): multi_package: ClassVar[bool] = True - fixed_cell: bool = field(block="options", default=False) auxiliary: Optional[list[str]] = array(block="options", default=None) auxmultname: Optional[str] = field(block="options", default=None) @@ -35,6 +34,7 @@ class Rch(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) aux: Optional[NDArray[np.float64]] = array( block="period", @@ -45,6 +45,7 @@ class Rch(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) boundname: Optional[NDArray[np.str_]] = array( block="period", @@ -55,32 +56,9 @@ class Rch(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) def __attrs_post_init__(self): - # TODO set up on_setattr hooks for period block - # arrays to update maxbound? for now do it here - # in post init. but this only works when values - # are set in the initializer, not when they are - # set later. - if self.recharge is None: - maxrecharge = 0 - else: - recharge = self.head if self.head.data.shape == self.head.shape else self.head.todense() - maxrecharge = len(np.where(recharge != FILL_DNODATA)) - if self.aux is None: - maxaux = 0 - else: - aux = self.aux if self.aux.data.shape == self.aux.shape else self.aux.todense() - maxaux = len(np.where(aux != FILL_DNODATA)) - if self.boundname is None: - maxboundname = 0 - else: - boundname = ( - self.boundname - if self.boundname.data.shape == self.boundname.shape - else self.boundname.todense() - ) - maxboundname = len(np.where(boundname != "")) - - self.maxbound = max(maxrecharge, maxaux, maxboundname) + if self.recharge is not None or self.aux is not None or self.boundname is not None: + update_maxbound(self, None, None) diff --git a/flopy4/mf6/gwf/wel.py b/flopy4/mf6/gwf/wel.py index bbeb2549..59d27912 100644 --- a/flopy4/mf6/gwf/wel.py +++ b/flopy4/mf6/gwf/wel.py @@ -6,7 +6,7 @@ from numpy.typing import NDArray from xattree import xattree -from flopy4.mf6.constants import FILL_DNODATA +from flopy4.mf6.attr_hooks import update_maxbound from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field @@ -36,6 +36,7 @@ class Wel(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) aux: Optional[NDArray[np.float64]] = array( block="period", @@ -46,6 +47,7 @@ class Wel(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) boundname: Optional[NDArray[np.str_]] = array( block="period", @@ -56,32 +58,9 @@ class Wel(Package): default=None, converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", + on_setattr=update_maxbound, ) def __attrs_post_init__(self): - # TODO set up on_setattr hooks for period block - # arrays to update maxbound? for now do it here - # in post init. but this only works when values - # are set in the initializer, not when they are - # set later. - if self.q is None: - maxq = 0 - else: - q = self.q if self.q.data.shape == self.q.shape else self.q.todense() - maxq = len(np.where(q != FILL_DNODATA)) - if self.aux is None: - maxaux = 0 - else: - aux = self.aux if self.aux.data.shape == self.aux.shape else self.aux.todense() - maxaux = len(np.where(aux != FILL_DNODATA)) - if self.boundname is None: - maxboundname = 0 - else: - boundname = ( - self.boundname - if self.boundname.data.shape == self.boundname.shape - else self.boundname.todense() - ) - maxboundname = len(np.where(boundname != "")) - - self.maxbound = max(maxq, maxaux, maxboundname) + if self.q is not None or self.aux is not None or self.boundname is not None: + update_maxbound(self, None, None) diff --git a/flopy4/mf6/spec.py b/flopy4/mf6/spec.py index 73840871..c618c450 100644 --- a/flopy4/mf6/spec.py +++ b/flopy4/mf6/spec.py @@ -28,6 +28,7 @@ def field( eq=True, init=True, metadata=None, + on_setattr=None, block: str | None = None, ): """Define a field.""" @@ -42,6 +43,7 @@ def field( repr=repr, eq=eq, init=init, + on_setattr=on_setattr, metadata=metadata, ) @@ -105,6 +107,7 @@ def array( repr=True, eq=None, metadata=None, + on_setattr=None, block: str | None = None, reader: Reader = "readarray", ): @@ -121,6 +124,7 @@ def array( converter=converter, repr=repr, eq=eq, + on_setattr=on_setattr, metadata=metadata, ) @@ -261,7 +265,7 @@ def to_dfn_field(attribute: Attribute) -> Field: ) -def get_blocks(dfn: Dfn) -> dict: +def get_blocks(dfn: Dfn) -> dict[str, Block]: """ Get blocks from an MF6 input definition. Anything not an explicitly defined key in the `Dfn` typed dict is a block. @@ -283,9 +287,14 @@ def is_list_field(field: Field) -> bool: return field["type"] == "recarray" and field["reader"] != "readarray" -def is_list_block(block: dict) -> bool: +def is_list_block(block: Block) -> bool: return ( len(block) == 1 - and (field := next(iter(block.values())))["type"] == "recarray" - and field["reader"] != "readarray" - ) or (all(f["type"] == "recarray" and f["reader"] != "readarray" for f in block.values())) + and (field := next(iter(block.values()))).metadata.get("type") == "recarray" + and field.metadata.get("reader") != "readarray" + ) or ( + all( + f.metadata.get("type") == "recarray" and f.metadata.get("reader") != "readarray" + for f in block.values() + ) + ) diff --git a/flopy4/mf6/templates/blocks.jinja b/flopy4/mf6/templates/blocks.jinja deleted file mode 100644 index ef534445..00000000 --- a/flopy4/mf6/templates/blocks.jinja +++ /dev/null @@ -1,13 +0,0 @@ -{% import 'macros.jinja' as macros with context %} -{% for block_name, block_ in (dfn|dict_blocks).items() %} -BEGIN {{ block_name.upper() }} -{% for field in block_.values() if (field|field_value) is not none -%} -{{ macros.field(field) }} -{%- endfor %} -END {{ block_name.upper() }} - -{% endfor %} - -{% for block_name, block_ in (dfn|list_blocks).items() -%} -{{ macros.list(block_name, block_, single=block_name != "period") }} -{%- endfor%} diff --git a/flopy4/mf6/templates/macros.jinja b/flopy4/mf6/templates/macros.jinja deleted file mode 100644 index b7ea113d..00000000 --- a/flopy4/mf6/templates/macros.jinja +++ /dev/null @@ -1,92 +0,0 @@ -{% macro field(f) %} -{% set type = f|field_type %} -{% if type in ['keyword', 'integer', 'double precision', 'string'] %} -{{ scalar(f) }} -{% elif type == 'record' %} -{{ record(f) }} -{% elif type == 'keystring' %} -{{ keystring(f) }} -{% elif type == 'recarray' %} -{{ recarray(f, how=f|array_how) }} -{% endif %} -{% endmacro %} - -{% macro scalar(f) %} -{% set type = f|field_type %} -{% set value = f|field_value %} -{% if value is not none %}{{ f.name.upper() }}{% if type != 'keyword' %} {{ value }}{% endif %}{% endif %} -{% endmacro %} - -{% macro keystring(f) %} -{% for item in f.children.values() -%} -{{ field(item) }} -{%- endfor %} -{% endmacro %} - -{% macro record(f) %} -{% for item in f.children.values() -%} -{% if item.tagged %}{{ item.name.upper() }} {% endif %}{{ field(item) }} -{%- endfor %} -{% endmacro %} - -{% macro recarray(f, how="internal") %} -{% set name = f.name %} -{% set value = f|field_value %} -{{ name.upper() }}{% if "layered" in how %} LAYERED{% endif %} - -{% if how == "constant" %} -CONSTANT {{ value.item() }} -{% elif how == "layered constant" %} -{% for layer in value -%} -CONSTANT {{ layer.item() }} -{%- endfor %} -{% elif how == "internal" %} -INTERNAL -{% for chunk in value|array_chunks -%} -{{ chunk|array2string }} -{%- endfor %} -{% elif how == "external" %} -OPEN/CLOSE {{ value }} -{% endif %} -{% endmacro %} - -{% macro list(block_name, block, single=False) %} -{# -from mf6's perspective, a list block (e.g. period data) -always has just one variable, whose elements might be -records or unions. if records, each record field is a -column in a table, and we spin each column out into a -separate array. if unions, we have a single array of -some record which we have invented to represent the -union in a nicer way. in either case we've done some -munging in conversion to turn the (internal) array -into a sparse dict representation where outermost -keys are stress periods, and stored that as a new -variable with the same name as the block. this macro -receives the block definition, and from that it looks -up the value of this variable. if the 'single' param -is True, we assume the dict's values are tuples to -become rows in a single block, e.g. tdis perioddata. -if False, we assume the dict's values are themselves -dicts, where the keys are cell ids, and the values -are tuples, and each entry becomes a row in a block -indexed by stres period. hope that all made sense.. -#} -{% set d = data[block_name] %} -{% if single %} -BEGIN {{ block_name.upper() }} -{% for line in d.values() %} -{{ line|join(" ")|upper }} -{% endfor %} -END {{ block_name.upper() }} -{% else %} -{% for kper, value in d.items() %} -BEGIN {{ block_name.upper() }} {{ kper + 1 }} -{% for line in value %} -{{ line|join(" ")|upper }} -{% endfor %} -END {{ block_name.upper() }} {{ kper + 1 }} - -{% endfor %} -{% endif %} -{% endmacro %} diff --git a/flopy4/spec.py b/flopy4/spec.py index 31f2f537..e719706e 100644 --- a/flopy4/spec.py +++ b/flopy4/spec.py @@ -19,6 +19,7 @@ def field( eq=True, init=True, metadata=None, + on_setattr=None, ): """Define a field.""" return xattree_field( @@ -29,6 +30,7 @@ def field( eq=eq, init=init, metadata=metadata, + on_setattr=on_setattr, ) @@ -81,6 +83,7 @@ def array( repr=True, eq=None, metadata=None, + on_setattr=None, ): """Define an array field.""" return 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pypi: https://files.pythonhosted.org/packages/80/ab/11a76c1e2126084fde2639514f24e6111b789b0bfa4fc6264a8975c7e1f1/zict-3.0.0-py2.py3-none-any.whl diff --git a/test/test_codec.py b/test/test_codec.py index dfa986da..4d94a58a 100644 --- a/test/test_codec.py +++ b/test/test_codec.py @@ -1,4 +1,34 @@ +import numpy as np +import xarray as xr + from flopy4.mf6.codec import dumps +from flopy4.mf6.converter import COMPONENT_CONVERTER + + +def test_list_template_rendering(): + """Test that list blocks render correctly with sparse arrays.""" + + nnodes = 9 + data = np.full((1, nnodes), 1e30) + + data[0, 4] = -500.0 + data[0, 8] = -250.0 + + wel_data = xr.DataArray( + data, dims=["nper", "nnodes"], coords={"node": ("nnodes", range(nnodes))} + ) + + test_data = {"period": {"q": wel_data}} + + result = dumps(test_data) + print("List template result:") + print(result) + + assert "BEGIN PERIOD" in result + assert "END PERIOD" in result + assert "5 -500.0" in result # Node 5 (1-based) with -500.0 + assert "9 -250.0" in result # Node 9 (1-based) with -250.0 + assert "1e+30" not in result def test_dumps_ic(): @@ -12,7 +42,7 @@ def test_dumps_ic(): export_array_netcdf=True, ) - result = dumps(ic) + result = dumps(COMPONENT_CONVERTER.unstructure(ic)) print(result) assert result @@ -28,7 +58,7 @@ def test_dumps_oc(): dims={"nper": 1}, ) - result = dumps(oc) + result = dumps(COMPONENT_CONVERTER.unstructure(oc)) print(result) assert result @@ -46,7 +76,7 @@ def test_dumps_dis(): length_units="feet", ) - result = dumps(dis) + result = dumps(COMPONENT_CONVERTER.unstructure(dis)) print(result) assert result @@ -59,7 +89,7 @@ def test_dumps_tdis(): tdis = Tdis.from_time(ModelTime(perlen=[1.0, 2.0], nstp=[1, 2])) tdis.time_units = "days" - result = dumps(tdis) + result = dumps(COMPONENT_CONVERTER.unstructure(tdis)) print(result) assert result @@ -82,6 +112,172 @@ def test_dumps_chd(): dims={"nper": 1}, ) - result = dumps(chd) - print(result) + result = dumps(COMPONENT_CONVERTER.unstructure(chd)) + + assert "BEGIN PERIOD 1" in result + assert "END PERIOD 1" in result + + period_section = result.split("BEGIN PERIOD 1")[1].split("END PERIOD 1")[0].strip() + lines = [line.strip() for line in period_section.split("\n") if line.strip()] + + assert len(lines) == 2 + assert "1 10.0" in result # First CHD cell - node 1 + assert "100 20.0" in result # Second CHD cell - node 100 assert result + + +def test_dumps_wel_sparse(): + from flopy4.mf6.gwf import Dis, Gwf, Wel + + dis = Dis(nlay=3, nrow=10, ncol=10) + gwf = Gwf(dis=dis) + wel = Wel( + parent=gwf, + q={ + 0: { + (0, 2, 3): -100.0, + (1, 5, 7): -50.0, + (2, 8, 1): 25.0, + } + }, + print_input=True, + save_flows=True, + dims={"nper": 1}, + ) + + result = dumps(COMPONENT_CONVERTER.unstructure(wel)) + print("WEL sparse result:") + print(result) + + assert "BEGIN PERIOD 1" in result + assert "END PERIOD 1" in result + + period_section = result.split("BEGIN PERIOD 1")[1].split("END PERIOD 1")[0].strip() + lines = [line.strip() for line in period_section.split("\n") if line.strip()] + + assert len(lines) == 3 + result_lower = result.lower() + assert "-100" in result_lower or "100" in result_lower + assert "-50" in result_lower or "50" in result_lower + assert "25" in result_lower + + +def test_dumps_drn_sparse_multiperiod(): + from flopy4.mf6.gwf import Dis, Drn, Gwf + + dis = Dis(nlay=2, nrow=5, ncol=5) + gwf = Gwf(dis=dis) + drn = Drn( + parent=gwf, + elev={ + 0: { + (0, 0, 4): 10.0, + (1, 4, 0): 8.0, + }, + 1: { + (0, 1, 1): 12.0, + (0, 2, 3): 9.0, + (1, 3, 2): 7.0, + }, + }, + cond={ + 0: { + (0, 0, 4): 1.0, + (1, 4, 0): 2.0, + }, + 1: { + (0, 1, 1): 1.5, + (0, 2, 3): 0.8, + (1, 3, 2): 2.2, + }, + }, + print_flows=True, + dims={"nper": 2}, + ) + + result = dumps(COMPONENT_CONVERTER.unstructure(drn)) + + assert "BEGIN PERIOD 1" in result + assert "END PERIOD 1" in result + assert "BEGIN PERIOD 2" in result + assert "END PERIOD 2" in result + + period1_section = result.split("BEGIN PERIOD 1")[1].split("END PERIOD 1")[0].strip() + period2_section = result.split("BEGIN PERIOD 2")[1].split("END PERIOD 2")[0].strip() + + period1_lines = [line.strip() for line in period1_section.split("\n") if line.strip()] + period2_lines = [line.strip() for line in period2_section.split("\n") if line.strip()] + + assert len(period1_lines) == 2 + assert len(period2_lines) == 3 + + assert "5 10.0 1.0" in result + assert "46 8.0 2.0" in result + assert "7 12.0 1.5" in result + assert "14 9.0 0.8" in result + assert "43 7.0 2.2" in result + + +def test_dumps_chd_sparse_realistic(): + from flopy4.mf6.gwf import Chd, Dis, Gwf + + dis = Dis(nlay=1, nrow=20, ncol=30) + gwf = Gwf(dis=dis) + + boundaries = {} + for row in range(5, 15): + boundaries[(0, row, 0)] = 100.0 + for row in range(8, 12): + boundaries[(0, row, 29)] = 95.0 + for col in range(10, 20): + boundaries[(0, 19, col)] = 98.0 + + chd = Chd(parent=gwf, head={0: boundaries}, print_input=True, save_flows=True, dims={"nper": 1}) + + result = dumps(COMPONENT_CONVERTER.unstructure(chd)) + print("CHD realistic sparse result:") + print(result) + + period_section = result.split("BEGIN PERIOD 1")[1].split("END PERIOD 1")[0].strip() + lines = [line.strip() for line in period_section.split("\n") if line.strip()] + + assert len(lines) == 24 + assert "100" in result + assert "95" in result + assert "98" in result + + +def test_dumps_wel_with_auxiliary(): + from flopy4.mf6.gwf import Dis, Gwf, Wel + + dis = Dis(nlay=2, nrow=5, ncol=5) + gwf = Gwf(dis=dis) + wel = Wel( + parent=gwf, + auxiliary=["well_id"], + q={ + 0: { + (0, 1, 2): -75.0, + (1, 3, 4): -25.0, + } + }, + aux={ + 0: { + (0, 1, 2): 1.0, + (1, 3, 4): 2.0, + } + }, + print_input=True, + dims={"nper": 1}, + ) + + result = dumps(COMPONENT_CONVERTER.unstructure(wel)) + print("WEL with auxiliary sparse result:") + print(result) + + period_section = result.split("BEGIN PERIOD 1")[1].split("END PERIOD 1")[0].strip() + lines = [line.strip() for line in period_section.split("\n") if line.strip()] + + assert len(lines) == 2 + assert "-75" in result or "75" in result + assert "-25" in result or "25" in result diff --git a/test/test_filters.py b/test/test_filters.py new file mode 100644 index 00000000..eaaa3cc3 --- /dev/null +++ b/test/test_filters.py @@ -0,0 +1,97 @@ +"""Tests for flopy4.mf6.filters module.""" + +import numpy as np +import xarray as xr + +from flopy4.mf6.filters import array2list, keystring2list + + +def test_array2list(): + data = np.zeros((3, 4, 5)) + data[0, 1, 2] = 100.0 + data[1, 3, 0] = -50.0 + data[2, 0, 4] = 25.5 + + arr = xr.DataArray(data, dims=["layer", "row", "col"]) + sparse_data = list(array2list(arr)) + assert len(sparse_data) == 3 + expected = {(1, 2, 3, 100.0), (2, 4, 1, -50.0), (3, 1, 5, 25.5)} + assert set(sparse_data) == expected + + +def test_array2list_with_zeros(): + data = np.array([[0.0, 1.0], [2.0, 0.0]]) + arr = xr.DataArray(data, dims=["row", "col"]) + + sparse_no_zeros = list(array2list(arr)) + assert len(sparse_no_zeros) == 2 + assert set(sparse_no_zeros) == {(1, 2, 1.0), (2, 1, 2.0)} + + sparse_with_zeros = list(array2list(arr, include_zeros=True)) + assert len(sparse_with_zeros) == 4 + expected_with_zeros = {(1, 1, 0.0), (1, 2, 1.0), (2, 1, 2.0), (2, 2, 0.0)} + assert set(sparse_with_zeros) == expected_with_zeros + + +def test_array2list_nan_handling(): + data = np.array([[1.0, np.nan], [0.0, 2.0]]) + arr = xr.DataArray(data, dims=["row", "col"]) + sparse_data = list(array2list(arr, include_zeros=True)) + expected = {(1, 1, 1.0), (2, 1, 0.0), (2, 2, 2.0)} + assert set(sparse_data) == expected + + +def test_keystring2list(): + data = np.full((2, 3), None, dtype=object) + data[0, 1] = {"rate": -100.0, "aux1": 1, "aux2": 2} + data[1, 2] = {"rate": -200.0, "aux1": 3, "aux2": 4} + + arr = xr.DataArray(data, dims=["row", "col"]) + sparse_data = list(keystring2list(arr)) + assert len(sparse_data) == 2 + + rows = {entry[:2] for entry in sparse_data} + assert rows == {(1, 2), (2, 3)} + + for entry in sparse_data: + if entry[:2] == (1, 2): + assert entry[2:] == (-100.0, 1, 2) + elif entry[:2] == (2, 3): + assert entry[2:] == (-200.0, 3, 4) + + +def test_keystring2list_with_namedtuple(): + from collections import namedtuple + + WelData = namedtuple("WelData", ["rate", "aux1", "aux2"]) + + data = np.full((2, 2), None, dtype=object) + data[0, 0] = WelData(-100.0, 1, 2) + data[1, 1] = WelData(-200.0, 3, 4) + + arr = xr.DataArray(data, dims=["row", "col"]) + sparse_data = list(keystring2list(arr)) + + assert len(sparse_data) == 2 + expected = {(1, 1, -100.0, 1, 2), (2, 2, -200.0, 3, 4)} + assert set(sparse_data) == expected + + +def test_array2list_1d(): + """Test sparse iteration with 1D arrays.""" + data = np.array([0, 5, 0, 10]) + arr = xr.DataArray(data, dims=["index"]) + + sparse_data = list(array2list(arr)) + expected = {(2, 5), (4, 10)} # 1-based indexing + assert set(sparse_data) == expected + + +def test_array2list_2d(): + """Test 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