gridlock/__init__.py

@@ -34,5 +34,5 @@ from .grid import Grid as Grid
 
 
 __author__ = 'Jan Petykiewicz'
-__version__ = '2.1'
+__version__ = '2.0'
 version = __version__

gridlock/draw.py

@@ -61,25 +61,23 @@ class GridDrawMixin(GridPosMixin):
         for ii in range(len(poly_list)):
             polygon = poly_list[ii]
             malformed = f'Malformed polygon: ({ii})'
-            if polygon.ndim != 2:
-                raise GridError(malformed + 'must be a 2-dimensional ndarray')
             if polygon.shape[1] not in (2, 3):
                 raise GridError(malformed + 'must be a Nx2 or Nx3 ndarray')
             if polygon.shape[1] == 3:
-                if numpy.unique(polygon[:, slab.axis]).size != 1:
-                    raise GridError(malformed + 'must be in plane with surface normal ' + 'xyz'[slab.axis])
-                polygon = polygon[:, surface]
+                polygon = polygon[surface, :]
                 poly_list[ii] = polygon
 
             if not polygon.shape[0] > 2:
                 raise GridError(malformed + 'must consist of more than 2 points')
+            if polygon.ndim > 2 and not numpy.unique(polygon[:, slab.axis]).size == 1:
+                raise GridError(malformed + 'must be in plane with surface normal ' + 'xyz'[slab.axis])
 
         # Broadcast foreground where necessary
         foregrounds: Sequence[foreground_callable_t] | Sequence[float]
-        if isinstance(foreground, numpy.ndarray):
+        if numpy.size(foreground) == 1:     # type: ignore
+            foregrounds = [foreground] * len(cell_data)  # type: ignore
+        elif isinstance(foreground, numpy.ndarray):
             raise GridError('ndarray not supported for foreground')
-        if callable(foreground) or numpy.isscalar(foreground):
-            foregrounds = [foreground] * len(cell_data)  # type: ignore[list-item]
         else:
             foregrounds = foreground    # type: ignore
 
@@ -298,6 +296,8 @@ class GridDrawMixin(GridPosMixin):
         if isinstance(z, dict):
             z = Extent(**z)
 
+        center = numpy.asarray([x.center, y.center, z.center])
+
         p = numpy.array([[x.min, y.max],
                          [x.max, y.max],
                          [x.max, y.min],
@@ -376,18 +376,15 @@ class GridDrawMixin(GridPosMixin):
         foreground_func = []
         for ii, grid in enumerate(cell_data):
             zz = self.pos2ind(rectangle[0, :], ii, round_ind=False, check_bounds=False)[direction]
+
+            ind = [int(numpy.floor(zz)) if dd == direction else slice(None) for dd in range(3)]
+
             fpart = zz - numpy.floor(zz)
-            low = int(numpy.clip(numpy.floor(zz), 0, grid.shape[direction] - 1))
-            high = int(numpy.clip(numpy.floor(zz) + 1, 0, grid.shape[direction] - 1))
-
-            low_ind = [low if dd == direction else slice(None) for dd in range(3)]
-            high_ind = [high if dd == direction else slice(None) for dd in range(3)]
-
-            if low == high:
-                foreground = grid[tuple(low_ind)]
-            else:
             mult = [1 - fpart, fpart][::sgn]  # reverses if s negative
-                foreground = mult[0] * grid[tuple(low_ind)] + mult[1] * grid[tuple(high_ind)]
+
+            foreground = mult[0] * grid[tuple(ind)]
+            ind[direction] += 1                         # type: ignore #(known safe)
+            foreground += mult[1] * grid[tuple(ind)]
 
             def f_foreground(xs, ys, zs, ii=ii, foreground=foreground) -> NDArray[numpy.int64]:            # noqa: ANN001
                 # transform from natural position to index
@@ -401,3 +398,4 @@ class GridDrawMixin(GridPosMixin):
 
         slab = Slab(axis=direction, center=center[direction], span=thickness)
         self.draw_polygon(cell_data, slab=slab, polygon=poly, foreground=foreground_func, offset2d=center[surface])
+

gridlock/grid.py

@@ -95,8 +95,6 @@ class Grid(GridDrawMixin, GridReadMixin, GridPosMixin):
             `GridError` on invalid input
         """
         edge_arrs = [numpy.array(cc) for cc in pixel_edge_coordinates]
-        if len(edge_arrs) != 3:
-            raise GridError('pixel_edge_coordinates must contain exactly 3 coordinate arrays')
         self.exyz = [numpy.unique(edges) for edges in edge_arrs]
         self.shifts = numpy.array(shifts, dtype=float)
 
@@ -108,8 +106,6 @@ class Grid(GridDrawMixin, GridReadMixin, GridPosMixin):
             self.periodic = [periodic] * 3
         else:
             self.periodic = list(periodic)
-            if len(self.periodic) != 3:
-                raise GridError('periodic must be a bool or a sequence of length 3')
 
         if len(self.shifts.shape) != 2:
             raise GridError('Misshapen shifts: shifts must have two axes! '

gridlock/position.py

@@ -47,13 +47,13 @@ class GridPosMixin(GridBase):
             else:
                 low_bound = -0.5
                 high_bound = -0.5
-            if (ind < low_bound).any() or (ind > self.shape + high_bound).any():
+            if (ind < low_bound).any() or (ind > self.shape - high_bound).any():
                 raise GridError(f'Position outside of grid: {ind}')
 
         if round_ind:
             rind = numpy.clip(numpy.round(ind).astype(int), 0, self.shape - 1)
             sxyz = self.shifted_xyz(which_shifts)
-            position = [sxyz[a][rind[a]] for a in range(3)]
+            position = [sxyz[a][rind[a]].astype(int) for a in range(3)]
         else:
             sexyz = self.shifted_exyz(which_shifts)
             position = [numpy.interp(ind[a], numpy.arange(sexyz[a].size) - 0.5, sexyz[a])

gridlock/read.py

@@ -20,26 +20,6 @@ if TYPE_CHECKING:
 
 
 class GridReadMixin(GridPosMixin):
-    @staticmethod
-    def _preview_exyz_from_centers(centers: NDArray, fallback_edges: NDArray) -> NDArray[numpy.float64]:
-        if centers.size > 1:
-            midpoints = 0.5 * (centers[:-1] + centers[1:])
-            first = centers[0] - 0.5 * (centers[1] - centers[0])
-            last = centers[-1] + 0.5 * (centers[-1] - centers[-2])
-            return numpy.hstack(([first], midpoints, [last]))
-        return numpy.array([fallback_edges[0], fallback_edges[-1]], dtype=float)
-
-    def _sampled_exyz(self, which_shifts: int, sample_period: int) -> list[NDArray[numpy.float64]]:
-        if sample_period <= 1:
-            return self.shifted_exyz(which_shifts)
-
-        shifted_xyz = self.shifted_xyz(which_shifts)
-        shifted_exyz = self.shifted_exyz(which_shifts)
-        return [
-            self._preview_exyz_from_centers(shifted_xyz[a][::sample_period], shifted_exyz[a])
-            for a in range(3)
-        ]
-
     def get_slice(
             self,
             cell_data: NDArray,
@@ -83,13 +63,12 @@ class GridReadMixin(GridPosMixin):
         else:
             w = [1]
 
-        c_min, c_max = (self.shifted_xyz(which_shifts)[plane.axis][i] for i in [0, -1])
+        c_min, c_max = (self.xyz[plane.axis][i] for i in [0, -1])
         if plane.pos < c_min or plane.pos > c_max:
             raise GridError('Coordinate of selected plane must be within simulation domain')
 
         # Extract grid values from planes above and below visualized slice
-        sample_shape = tuple(self.shifted_xyz(which_shifts)[a][::sp].size for a in surface)
-        sliced_grid = numpy.zeros(sample_shape, dtype=numpy.result_type(cell_data.dtype, float))
+        sliced_grid = numpy.zeros(self.shape[surface])
         for ci, weight in zip(centers, w, strict=True):
             s = tuple(ci if a == plane.axis else numpy.s_[::sp] for a in range(3))
             sliced_grid += weight * cell_data[which_shifts][tuple(s)]
@@ -143,11 +122,7 @@ class GridReadMixin(GridPosMixin):
 
         surface = numpy.delete(range(3), plane.axis)
 
-        if sample_period == 1:
         x, y = (self.shifted_exyz(which_shifts)[a] for a in surface)
-        else:
-            x, y = (self.shifted_xyz(which_shifts)[a][::sample_period] for a in surface)
-            pcolormesh_args.setdefault('shading', 'nearest')
         xmesh, ymesh = numpy.meshgrid(x, y, indexing='ij')
         x_label, y_label = ('xyz'[a] for a in surface)
 
@@ -233,10 +208,10 @@ class GridReadMixin(GridPosMixin):
             fig, ax = pyplot.subplots()
         else:
             fig = ax.figure
-        xc, yc = (self.shifted_xyz(which_shifts)[a][::sample_period] for a in surface)
+        xc, yc = (self.shifted_xyz(which_shifts)[a] for a in surface)
         xcmesh, ycmesh = numpy.meshgrid(xc, yc, indexing='ij')
 
-        ax.contour(xcmesh, ycmesh, grid_slice, levels=levels, **contour_args)
+        mappable = ax.contour(xcmesh, ycmesh, grid_slice, levels=levels, **contour_args)
 
         if finalize:
             pyplot.show()
@@ -282,14 +257,8 @@ class GridReadMixin(GridPosMixin):
         verts, faces, _normals, _values = skimage.measure.marching_cubes(grid, level)
 
         # Convert vertices from index to position
-        preview_exyz = self._sampled_exyz(which_shifts, sample_period)
-        pos_verts = numpy.array([
-            [
-                numpy.interp(verts[i, a], numpy.arange(preview_exyz[a].size) - 0.5, preview_exyz[a])
-                for a in range(3)
-            ]
-            for i in range(verts.shape[0])
-        ], dtype=float)
+        pos_verts = numpy.array([self.ind2pos(verts[i, :], which_shifts, round_ind=False)
+                                 for i in range(verts.shape[0])], dtype=float)
         xs, ys, zs = (pos_verts[:, a] for a in range(3))
 
         # Draw the plot

gridlock/test/test_grid.py

@@ -1,8 +1,8 @@
-import pytest
+# import pytest
 import numpy
 from numpy.testing import assert_allclose       #, assert_array_equal
 
-from .. import Grid, Extent, GridError, Plane, Slab
+from .. import Grid, Extent  #, Slab, Plane
 
 
 def test_draw_oncenter_2x2() -> None:
@@ -116,196 +116,3 @@ def test_draw_2shift_4x4() -> None:
                            [0, 0.125, 0.125, 0]])[None, :, :, None]
 
     assert_allclose(arr, correct)
-
-
-def test_ind2pos_round_preserves_float_centers() -> None:
-    grid = Grid([[0, 1, 3], [0, 2], [0, 1]], shifts=[[0, 0, 0]])
-
-    pos = grid.ind2pos(numpy.array([1, 0, 0]), which_shifts=0)
-
-    assert_allclose(pos, [2.0, 1.0, 0.5])
-
-
-def test_ind2pos_enforces_bounds_for_rounded_and_fractional_indices() -> None:
-    grid = Grid([[0, 1, 3], [0, 2], [0, 1]], shifts=[[0, 0, 0]])
-
-    with pytest.raises(GridError):
-        grid.ind2pos(numpy.array([2, 0, 0]), which_shifts=0, check_bounds=True)
-
-    edge_pos = grid.ind2pos(numpy.array([1.5, 0.5, 0.5]), which_shifts=0, round_ind=False, check_bounds=True)
-    assert_allclose(edge_pos, [3.0, 2.0, 1.0])
-
-    with pytest.raises(GridError):
-        grid.ind2pos(numpy.array([1.6, 0.5, 0.5]), which_shifts=0, round_ind=False, check_bounds=True)
-
-
-def test_draw_polygon_accepts_coplanar_nx3_vertices() -> None:
-    grid = Grid([[0, 1, 2], [0, 1, 2], [0, 1]], shifts=[[0, 0, 0]])
-    arr_2d = grid.allocate(0)
-    arr_3d = grid.allocate(0)
-    slab = dict(axis='z', center=0.5, span=1.0)
-
-    polygon_2d = numpy.array([[0, 0], [1, 0], [1, 1], [0, 1]], dtype=float)
-    polygon_3d = numpy.array([[0, 0, 0.5],
-                              [1, 0, 0.5],
-                              [1, 1, 0.5],
-                              [0, 1, 0.5]], dtype=float)
-
-    grid.draw_polygon(arr_2d, slab=slab, polygon=polygon_2d, foreground=1)
-    grid.draw_polygon(arr_3d, slab=slab, polygon=polygon_3d, foreground=1)
-
-    assert_allclose(arr_3d, arr_2d)
-
-
-def test_draw_polygon_rejects_noncoplanar_nx3_vertices() -> None:
-    grid = Grid([[0, 1, 2], [0, 1, 2], [0, 1]], shifts=[[0, 0, 0]])
-    arr = grid.allocate(0)
-    polygon = numpy.array([[0, 0, 0.5],
-                           [1, 0, 0.5],
-                           [1, 1, 0.75],
-                           [0, 1, 0.5]], dtype=float)
-
-    with pytest.raises(GridError):
-        grid.draw_polygon(arr, slab=dict(axis='z', center=0.5, span=1.0), polygon=polygon, foreground=1)
-
-
-def test_get_slice_supports_sampling() -> None:
-    grid = Grid([[0, 1, 2, 3], [0, 1, 2, 3], [0, 1]], shifts=[[0, 0, 0]])
-    cell_data = numpy.arange(numpy.prod(grid.cell_data_shape), dtype=float).reshape(grid.cell_data_shape)
-
-    grid_slice = grid.get_slice(cell_data, Plane(z=0.5), sample_period=2)
-
-    assert_allclose(grid_slice, cell_data[0, ::2, ::2, 0])
-
-
-def test_sampled_visualization_helpers_do_not_error() -> None:
-    matplotlib = pytest.importorskip('matplotlib')
-    matplotlib.use('Agg')
-    from matplotlib import pyplot
-
-    grid = Grid([[0, 1, 2, 3], [0, 1, 2, 3], [0, 1]], shifts=[[0, 0, 0]])
-    cell_data = numpy.arange(numpy.prod(grid.cell_data_shape), dtype=float).reshape(grid.cell_data_shape)
-
-    fig_slice, ax_slice = grid.visualize_slice(cell_data, Plane(z=0.5), sample_period=2, finalize=False)
-    fig_edges, ax_edges = grid.visualize_edges(cell_data, Plane(z=0.5), sample_period=2, finalize=False)
-
-    assert fig_slice is ax_slice.figure
-    assert fig_edges is ax_edges.figure
-
-    pyplot.close(fig_slice)
-    pyplot.close(fig_edges)
-
-
-def test_grid_constructor_rejects_invalid_coordinate_count() -> None:
-    with pytest.raises(GridError):
-        Grid([[0, 1], [0, 1]], shifts=[[0, 0, 0]])
-
-    with pytest.raises(GridError):
-        Grid([[0, 1], [0, 1], [0, 1], [0, 1]], shifts=[[0, 0, 0]])
-
-
-def test_grid_constructor_rejects_invalid_periodic_length() -> None:
-    with pytest.raises(GridError):
-        Grid([[0, 1], [0, 1], [0, 1]], shifts=[[0, 0, 0]], periodic=[True, False])
-
-
-def test_extent_and_slab_reject_inverted_geometry() -> None:
-    with pytest.raises(GridError):
-        Extent(center=0, min=1)
-
-    with pytest.raises(GridError):
-        Extent(min=2, max=1)
-
-    with pytest.raises(GridError):
-        Slab(axis='z', center=1, max=0)
-
-
-def test_extent_accepts_scalar_like_inputs() -> None:
-    extent = Extent(min=numpy.array([1.0]), span=numpy.array([4.0]))
-
-    assert_allclose([extent.center, extent.span, extent.min, extent.max], [3.0, 4.0, 1.0, 5.0])
-
-
-def test_get_slice_uses_shifted_grid_bounds() -> None:
-    grid = Grid([[0, 1, 2], [0, 1, 2], [0, 1, 2]], shifts=[[0.5, 0, 0]])
-    cell_data = numpy.arange(numpy.prod(grid.cell_data_shape), dtype=float).reshape(grid.cell_data_shape)
-
-    grid_slice = grid.get_slice(cell_data, Plane(x=2.0), which_shifts=0)
-
-    assert_allclose(grid_slice, cell_data[0, 1, :, :])
-
-    with pytest.raises(GridError):
-        grid.get_slice(cell_data, Plane(x=2.1), which_shifts=0)
-
-
-def test_draw_extrude_rectangle_uses_boundary_slice() -> None:
-    grid = Grid([[0, 1, 2], [0, 1, 2], [0, 1, 2]], shifts=[[0, 0, 0]])
-    cell_data = grid.allocate(0)
-    source = numpy.array([[1, 2],
-                          [3, 4]], dtype=float)
-    cell_data[0, :, :, 1] = source
-
-    grid.draw_extrude_rectangle(
-        cell_data,
-        rectangle=[[0, 0, 2], [2, 2, 2]],
-        direction=2,
-        polarity=-1,
-        distance=2,
-    )
-
-    assert_allclose(cell_data[0, :, :, 0], source)
-    assert_allclose(cell_data[0, :, :, 1], source)
-
-
-def test_sampled_preview_exyz_tracks_nonuniform_centers() -> None:
-    grid = Grid([[0, 1, 3, 6, 10], [0, 1, 2], [0, 1, 2]], shifts=[[0, 0, 0]])
-
-    sampled_exyz = grid._sampled_exyz(0, 2)
-
-    assert_allclose(sampled_exyz[0], [-1.5, 2.5, 6.5])
-
-
-def test_visualize_isosurface_sampling_uses_preview_lattice(monkeypatch: pytest.MonkeyPatch) -> None:
-    matplotlib = pytest.importorskip('matplotlib')
-    matplotlib.use('Agg')
-    skimage_measure = pytest.importorskip('skimage.measure')
-    from matplotlib import pyplot
-    from mpl_toolkits.mplot3d.axes3d import Axes3D
-
-    captured: dict[str, numpy.ndarray] = {}
-
-    def fake_marching_cubes(_grid: numpy.ndarray, _level: float) -> tuple[numpy.ndarray, numpy.ndarray, None, None]:
-        verts = numpy.array([[0.5, 0.5, 0.5],
-                             [0.5, 1.5, 0.5],
-                             [1.5, 0.5, 0.5]], dtype=float)
-        faces = numpy.array([[0, 1, 2]], dtype=int)
-        return verts, faces, None, None
-
-    def fake_plot_trisurf(     # noqa: ANN202
-            _self: object,
-            xs: numpy.ndarray,
-            ys: numpy.ndarray,
-            faces: numpy.ndarray,
-            zs: numpy.ndarray,
-            *_args: object,
-            **_kwargs: object,
-            ) -> object:
-        captured['xs'] = numpy.asarray(xs)
-        captured['ys'] = numpy.asarray(ys)
-        captured['faces'] = numpy.asarray(faces)
-        captured['zs'] = numpy.asarray(zs)
-        return object()
-
-    monkeypatch.setattr(skimage_measure, 'marching_cubes', fake_marching_cubes)
-    monkeypatch.setattr(Axes3D, 'plot_trisurf', fake_plot_trisurf)
-
-    grid = Grid([numpy.arange(7, dtype=float), numpy.arange(7, dtype=float), numpy.arange(7, dtype=float)], shifts=[[0, 0, 0]])
-    cell_data = numpy.zeros(grid.cell_data_shape)
-
-    fig, _ax = grid.visualize_isosurface(cell_data, level=0.5, sample_period=2, finalize=False)
-
-    assert_allclose(captured['xs'], [1.5, 1.5, 3.5])
-    assert_allclose(captured['ys'], [1.5, 3.5, 1.5])
-    assert_allclose(captured['zs'], [1.5, 1.5, 1.5])
-
-    pyplot.close(fig)

gridlock/utils.py

@@ -1,25 +1,12 @@
 from typing import Protocol, TypedDict, runtime_checkable, cast
 from dataclasses import dataclass
 
-import numpy
-
 
 class GridError(Exception):
     """ Base error type for `gridlock` """
     pass
 
 
-def _coerce_scalar(name: str, value: object) -> float:
-    arr = numpy.asarray(value)
-    if arr.size != 1:
-        raise GridError(f'{name} must be a scalar value')
-
-    try:
-        return float(arr.reshape(()))
-    except (TypeError, ValueError) as exc:
-        raise GridError(f'{name} must be a real scalar value') from exc
-
-
 class ExtentDict(TypedDict, total=False):
     """
     Geometrical definition of an extent (1D bounded region)
@@ -71,46 +58,44 @@ class Extent(ExtentProtocol):
             max: float | None = None,
             span: float | None = None,
             ) -> None:
-        values = {
-            'min': None if min is None else _coerce_scalar('min', min),
-            'center': None if center is None else _coerce_scalar('center', center),
-            'max': None if max is None else _coerce_scalar('max', max),
-            'span': None if span is None else _coerce_scalar('span', span),
-        }
-        if sum(value is not None for value in values.values()) != 2:
-            raise GridError('Exactly two of min, center, max, span must be provided')
+        if sum(cc is None for cc in (min, center, max, span)) != 2:
+            raise GridError('Exactly two of min, center, max, span must be None!')
 
-        min_v = values['min']
-        center_v = values['center']
-        max_v = values['max']
-        span_v = values['span']
+        if span is None:
+            if center is None:
+                assert min is not None
+                assert max is not None
+                assert max >= min
+                center = 0.5 * (max + min)
+                span = max - min
+            elif max is None:
+                assert min is not None
+                assert center is not None
+                span = 2 * (center - min)
+            elif min is None:
+                assert center is not None
+                assert max is not None
+                span = 2 * (max - center)
+        else:                        # noqa: PLR5501
+            if center is not None:
+                pass
+            elif max is None:
+                assert min is not None
+                assert span is not None
+                center = min + 0.5 * span
+            elif min is None:
+                assert max is not None
+                assert span is not None
+                center = max - 0.5 * span
 
-        if span_v is not None and span_v < 0:
-            raise GridError('span must be non-negative')
-
-        if min_v is not None and max_v is not None:
-            if max_v < min_v:
-                raise GridError('max must be greater than or equal to min')
-            center_v = 0.5 * (max_v + min_v)
-            span_v = max_v - min_v
-        elif center_v is not None and min_v is not None:
-            span_v = 2 * (center_v - min_v)
-            if span_v < 0:
-                raise GridError('min must be less than or equal to center')
-        elif center_v is not None and max_v is not None:
-            span_v = 2 * (max_v - center_v)
-            if span_v < 0:
-                raise GridError('center must be less than or equal to max')
-        elif min_v is not None and span_v is not None:
-            center_v = min_v + 0.5 * span_v
-        elif max_v is not None and span_v is not None:
-            center_v = max_v - 0.5 * span_v
-
-        if center_v is None or span_v is None:
-            raise GridError('Unable to construct extent from the provided values')
-
-        self.center = center_v
-        self.span = span_v
+        assert center is not None
+        assert span is not None
+        if hasattr(center, '__len__'):
+            assert len(center) == 1
+        if hasattr(span, '__len__'):
+            assert len(span) == 1
+        self.center = center
+        self.span = span
 
 
 class SlabDict(TypedDict, total=False):
@@ -246,3 +231,4 @@ class Plane(PlaneProtocol):
         if hasattr(cpos, '__len__'):
             assert len(cpos) == 1
         self.pos = cpos
+