diff --git a/flopy4/mf6/converters.py b/flopy4/mf6/converters.py new file mode 100644 index 00000000..1c4e5fe8 --- /dev/null +++ b/flopy4/mf6/converters.py @@ -0,0 +1,80 @@ +from typing import Any + +import numpy as np +import sparse +from numpy.typing import NDArray +from xattree import get_xatspec + +from flopy4.adapters import get_nn +from flopy4.mf6.config import SPARSE_THRESHOLD +from flopy4.mf6.constants import FILL_DNODATA + + +def dict_to_array(value, self_, field) -> NDArray: + """ + Convert a sparse dictionary representation of an array to a + dense numpy array or a sparse COO array. + """ + + if not isinstance(value, dict): + # if not a dict, assume it's a numpy array + # and let xarray deal with it if it isn't + return value + + spec = get_xatspec(type(self_)).flat + field = spec[field.name] + if not field.dims: + raise ValueError(f"Field {field} missing dims") + + # resolve dims + explicit_dims = self_.__dict__.get("dims", {}) + inherited_dims = dict(self_.parent.data.dims) if self_.parent else {} + dims = inherited_dims | explicit_dims + shape = [dims.get(d, d) for d in field.dims] + unresolved = [d for d in shape if isinstance(d, str)] + if any(unresolved): + raise ValueError(f"Couldn't resolve dims: {unresolved}") + + if np.prod(shape) > SPARSE_THRESHOLD: + a: dict[tuple[Any, ...], Any] = dict() + + def set_(arr, val, *ind): + arr[tuple(ind)] = val + + def final(arr): + coords = np.array(list(map(list, zip(*arr.keys())))) + return sparse.COO( + coords, + list(arr.values()), + shape=shape, + fill_value=field.default or FILL_DNODATA, + ) + else: + a = np.full(shape, FILL_DNODATA, dtype=field.dtype) # type: ignore + + def set_(arr, val, *ind): + arr[ind] = val + + def final(arr): + arr[arr == FILL_DNODATA] = field.default or FILL_DNODATA + return arr + + if "nper" in dims: + for kper, period in value.items(): + if kper == "*": + kper = 0 + match len(shape): + case 1: + set_(a, period, kper) + case _: + for cellid, v in period.items(): + nn = get_nn(cellid, **dims) + set_(a, v, kper, nn) + if kper == "*": + break + else: + for cellid, v in value.items(): + nn = get_nn(cellid, **dims) + set_(a, v, nn) + + return final(a) diff --git a/flopy4/mf6/gwf/chd.py b/flopy4/mf6/gwf/chd.py index 8bcd11c9..dca220dc 100644 --- a/flopy4/mf6/gwf/chd.py +++ b/flopy4/mf6/gwf/chd.py @@ -2,10 +2,12 @@ from typing import ClassVar, Optional import numpy as np +from attrs import Converter from numpy.typing import NDArray -from xattree import dict_to_array_converter, xattree +from xattree import xattree from flopy4.mf6.constants import FILL_DNODATA +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field @@ -31,7 +33,7 @@ class Chd(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) aux: Optional[NDArray[np.float64]] = array( @@ -41,7 +43,7 @@ class Chd(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) boundname: Optional[NDArray[np.str_]] = array( @@ -51,7 +53,7 @@ class Chd(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) diff --git a/flopy4/mf6/gwf/dis.py b/flopy4/mf6/gwf/dis.py index a697b7b0..174188b3 100644 --- a/flopy4/mf6/gwf/dis.py +++ b/flopy4/mf6/gwf/dis.py @@ -1,8 +1,10 @@ import numpy as np +from attrs import Converter from flopy.discretization.structuredgrid import StructuredGrid from numpy.typing import NDArray -from xattree import dict_to_array_converter, xattree +from xattree import xattree +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, dim, field @@ -43,31 +45,31 @@ class Dis(Package): block="griddata", default=1.0, dims=("ncol",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) delc: NDArray[np.float64] = array( block="griddata", default=1.0, dims=("nrow",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) top: NDArray[np.float64] = array( block="griddata", default=1.0, dims=("nrow", "ncol"), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) botm: NDArray[np.float64] = array( block="griddata", default=0.0, dims=("nlay", "nrow", "ncol"), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) idomain: NDArray[np.int32] = array( block="griddata", default=1, dims=("nlay", "nrow", "ncol"), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) nnodes: int = dim( coord="node", diff --git a/flopy4/mf6/gwf/drn.py b/flopy4/mf6/gwf/drn.py index 5858d34d..ab581730 100644 --- a/flopy4/mf6/gwf/drn.py +++ b/flopy4/mf6/gwf/drn.py @@ -2,17 +2,19 @@ from typing import ClassVar, Optional import numpy as np +from attrs import Converter from numpy.typing import NDArray -from xattree import dict_to_array_converter +from xattree import xattree from flopy4.mf6.constants import FILL_DNODATA +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field +@xattree class Drn(Package): multi_package: ClassVar[bool] = True - auxiliary: Optional[list[str]] = array(block="options", default=None) auxmultname: Optional[str] = field(block="options", default=None) auxdepthname: Optional[str] = field(block="options", default=None) @@ -29,14 +31,14 @@ class Drn(Package): block="period", dims=("nper", "nnodes"), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) cond: Optional[NDArray[np.float64]] = array( block="period", dims=("nper", "nnodes"), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) aux: Optional[NDArray[np.float64]] = array( @@ -46,7 +48,7 @@ class Drn(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) boundname: Optional[NDArray[np.str_]] = array( @@ -56,7 +58,7 @@ class Drn(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) diff --git a/flopy4/mf6/gwf/ic.py b/flopy4/mf6/gwf/ic.py index 30ff006e..18cdb7c2 100644 --- a/flopy4/mf6/gwf/ic.py +++ b/flopy4/mf6/gwf/ic.py @@ -1,7 +1,9 @@ import numpy as np +from attrs import Converter from numpy.typing import NDArray -from xattree import dict_to_array_converter, xattree +from xattree import xattree +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field @@ -12,7 +14,7 @@ class Ic(Package): block="packagedata", dims=("nnodes",), default=1.0, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) export_array_ascii: bool = field(block="options", default=False) export_array_netcdf: bool = field(block="options", default=False) diff --git a/flopy4/mf6/gwf/npf.py b/flopy4/mf6/gwf/npf.py index f8562b53..4828fdef 100644 --- a/flopy4/mf6/gwf/npf.py +++ b/flopy4/mf6/gwf/npf.py @@ -2,10 +2,11 @@ from typing import Optional import numpy as np -from attrs import define +from attrs import Converter, define from numpy.typing import NDArray -from xattree import dict_to_array_converter, xattree +from xattree import xattree +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field @@ -50,47 +51,47 @@ class Xt3dOptions: block="griddata", dims=("nnodes",), default=0, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) k: NDArray[np.float64] = array( block="griddata", dims=("nnodes",), default=1.0, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) k22: Optional[NDArray[np.float64]] = array( block="griddata", dims=("nnodes",), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) k33: Optional[NDArray[np.float64]] = array( block="griddata", dims=("nnodes",), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) angle1: Optional[NDArray[np.float64]] = array( block="griddata", dims=("nnodes",), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) angle2: Optional[NDArray[np.float64]] = array( block="griddata", dims=("nnodes",), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) angle3: Optional[NDArray[np.float64]] = array( block="griddata", dims=("nnodes",), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) wetdry: Optional[NDArray[np.float64]] = array( block="griddata", dims=("nnodes",), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) diff --git a/flopy4/mf6/gwf/oc.py b/flopy4/mf6/gwf/oc.py index 3276212d..e37cebe2 100644 --- a/flopy4/mf6/gwf/oc.py +++ b/flopy4/mf6/gwf/oc.py @@ -2,10 +2,11 @@ from typing import Literal, Optional import numpy as np -from attrs import define +from attrs import Converter, define from numpy.typing import NDArray -from xattree import dict_to_array_converter, xattree +from xattree import xattree +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field from flopy4.utils import to_path @@ -54,7 +55,7 @@ class Period: block="period", default="all", dims=("nper",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) save_budget: Optional[NDArray[np.object_]] = array( @@ -62,7 +63,7 @@ class Period: block="period", default="all", dims=("nper",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) print_head: Optional[NDArray[np.object_]] = array( @@ -70,7 +71,7 @@ class Period: block="period", default="all", dims=("nper",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) print_budget: Optional[NDArray[np.object_]] = array( @@ -78,17 +79,6 @@ class Period: block="period", default="all", dims=("nper",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) - - # original DFN - # @classmethod - # def get_dfn(cls) -> Dfn: - # """Generate the component's MODFLOW 6 definition.""" - # dfn = super().get_dfn() - # for field_name in list(dfn["perioddata"].keys()): - # dfn["perioddata"].pop(field_name) - # dfn["perioddata"]["saverecord"] = _oc_action_field("save") - # dfn["perioddata"]["printrecord"] = _oc_action_field("print") - # return dfn diff --git a/flopy4/mf6/gwf/rch.py b/flopy4/mf6/gwf/rch.py index 0b5dbbfa..dd25fb84 100644 --- a/flopy4/mf6/gwf/rch.py +++ b/flopy4/mf6/gwf/rch.py @@ -2,10 +2,12 @@ from typing import ClassVar, Optional import numpy as np +from attrs import Converter from numpy.typing import NDArray -from xattree import dict_to_array_converter, xattree +from xattree import xattree from flopy4.mf6.constants import FILL_DNODATA +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field @@ -31,7 +33,7 @@ class Rch(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) aux: Optional[NDArray[np.float64]] = array( @@ -41,7 +43,7 @@ class Rch(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) boundname: Optional[NDArray[np.str_]] = array( @@ -51,7 +53,7 @@ class Rch(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) diff --git a/flopy4/mf6/gwf/sto.py b/flopy4/mf6/gwf/sto.py index 2f1693e7..3e375cda 100644 --- a/flopy4/mf6/gwf/sto.py +++ b/flopy4/mf6/gwf/sto.py @@ -2,13 +2,16 @@ from typing import Optional import numpy as np +from attrs import Converter from numpy.typing import NDArray -from xattree import dict_to_array_converter +from xattree import xattree +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field +@xattree class Sto(Package): save_flows: bool = field(block="options", default=False) storagecoefficient: bool = field(block="options", default=False) @@ -22,31 +25,31 @@ class Sto(Package): block="griddata", dims=("nnodes",), default=0, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) ss: NDArray[np.float64] = array( block="griddata", dims=("nnodes",), default=1e-5, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) sy: NDArray[np.float64] = array( block="griddata", dims=("nnodes",), default=0.15, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), ) steady_state: Optional[NDArray[np.bool_]] = array( block="period", dims=("nper",), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) transient: Optional[NDArray[np.bool_]] = array( block="period", dims=("nper",), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) diff --git a/flopy4/mf6/gwf/wel.py b/flopy4/mf6/gwf/wel.py index beb4bc9c..bbeb2549 100644 --- a/flopy4/mf6/gwf/wel.py +++ b/flopy4/mf6/gwf/wel.py @@ -2,17 +2,19 @@ from typing import ClassVar, Optional import numpy as np +from attrs import Converter from numpy.typing import NDArray -from xattree import dict_to_array_converter +from xattree import xattree from flopy4.mf6.constants import FILL_DNODATA +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, field +@xattree class Wel(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) @@ -32,7 +34,7 @@ class Wel(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) aux: Optional[NDArray[np.float64]] = array( @@ -42,7 +44,7 @@ class Wel(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) boundname: Optional[NDArray[np.str_]] = array( @@ -52,7 +54,7 @@ class Wel(Package): "nnodes", ), default=None, - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) diff --git a/flopy4/mf6/tdis.py b/flopy4/mf6/tdis.py index 7a1428bd..33fc7af2 100644 --- a/flopy4/mf6/tdis.py +++ b/flopy4/mf6/tdis.py @@ -2,11 +2,12 @@ from typing import Optional import numpy as np -from attrs import define +from attrs import Converter, define from flopy.discretization.modeltime import ModelTime from numpy.typing import NDArray -from xattree import ROOT, dict_to_array_converter, xattree +from xattree import ROOT, xattree +from flopy4.mf6.converters import dict_to_array from flopy4.mf6.package import Package from flopy4.mf6.spec import array, dim, field @@ -26,21 +27,21 @@ class PeriodData: block="perioddata", default=1.0, dims=("nper",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) nstp: NDArray[np.integer] = array( block="perioddata", default=1, dims=("nper",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) tsmult: NDArray[np.float64] = array( block="perioddata", default=1.0, dims=("nper",), - converter=dict_to_array_converter, + converter=Converter(dict_to_array, takes_self=True, takes_field=True), reader="urword", ) diff --git a/test/test_component.py b/test/test_component.py index 20b080b0..6020cea3 100644 --- a/test/test_component.py +++ b/test/test_component.py @@ -6,9 +6,9 @@ from flopy.discretization.modeltime import ModelTime from modflow_devtools.dfn import Sln from xarray import DataTree -from xattree import sparse_config from flopy4.mf6.component import COMPONENTS +from flopy4.mf6.constants import FILL_DNODATA from flopy4.mf6.gwf import Chd, Dis, Gwf, Ic, Npf, Oc from flopy4.mf6.ims import Ims from flopy4.mf6.simulation import Simulation @@ -168,22 +168,7 @@ def test_init_sim_explicit_dims(): ic = Ic(dims=dims) oc = Oc(dims=dims) npf = Npf(dims=dims) - # TODO: wrap xattree dict_to_array_converter - # to handle arrays which declare only dims - # nper and nnodes intelligently based on the - # type of discretization the model has. the - # dim_groups feature is not sufficient for - # this, since it expects arrays to declare - # the dimensions they will be indexed with, - # but in mf6 dfns an array that'd we really - # know is grid-shaped is defined with dims - # nper and nnodes, regardless of grid type. - # (dim_groups seems like a dumb idea anyway, - # in retrospect, reinventing some of what an - # xarray index is/does. it should be removed - # from xattree. a component index, if provided, - # should be inspected for linked coordinates??) - chd = Chd(dims=dims, head={0: {0: 1.0, 99: 0.0}}) + chd = Chd(dims=dims, head={"*": {(0, 0, 0): 1.0, (0, 9, 9): 0.0}}) gwf = Gwf( dis=dis, ic=ic, @@ -209,8 +194,8 @@ def test_init_sim_explicit_dims(): assert np.array_equal(sim.models["gwf"].npf.data.k, np.ones(100)) assert chd.head[0, 0] == 1.0 assert chd.head[0, 99] == 0.0 - assert np.array_equal(chd.head[0, 1:99].data, np.full((98,), np.nan), equal_nan=True) - assert np.array_equal(chd.head.data, chd.data.head.data, equal_nan=True) + assert np.array_equal(chd.head[0, 1:99].data, np.full((98,), FILL_DNODATA)) + assert np.array_equal(chd.head.data, chd.data.head.data) assert np.array_equal( chd.head.data, sim.models["gwf"].chd[0].data.head.data, @@ -220,15 +205,14 @@ def test_init_sim_explicit_dims(): def test_init_big_sim(): # if size over threshold, arrays should be sparse - with sparse_config(threshold=1000): - time = ModelTime(perlen=[1.0], nstp=[1], tsmult=[1.0]) - grid = StructuredGrid(nlay=1, nrow=100, ncol=100) - sim = Simulation(tdis=time) - 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: 1.0, 9999: 0.0}}) + time = ModelTime(perlen=[1.0], nstp=[1], tsmult=[1.0]) + grid = StructuredGrid(nlay=1, nrow=100, ncol=100) + sim = Simulation(tdis=time) + 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, 99, 99): 0.0}}) assert sim.models["gwf"] is gwf assert isinstance(sim.data, DataTree) @@ -241,10 +225,8 @@ def test_init_big_sim(): assert np.array_equal(sim.models["gwf"].npf.data.k, np.ones(10000)) assert chd.head[0, 0].item() == 1.0 assert chd.head[0, 9999].item() == 0.0 - assert np.array_equal( - chd.head[0, 1:9999].data.todense(), np.full((9998,), np.nan), equal_nan=True - ) - assert np.array_equal(chd.head.data.todense(), chd.data.head.data.todense(), equal_nan=True) + assert np.array_equal(chd.head[0, 1:9999].data.todense(), np.full((9998,), FILL_DNODATA)) + assert np.array_equal(chd.head.data.todense(), chd.data.head.data.todense()) assert np.array_equal( chd.head.data.todense(), sim.models["gwf"].chd[0].data.head.data.todense(), diff --git a/uv.lock b/uv.lock index 0bc9452f..e0c3f94f 100644 --- 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