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[ind2pos] fix rounding and bounds

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Jan Petykiewicz 2026-04-20 10:25:13 -07:00
commit 1cc47da386
2 changed files with 23 additions and 2 deletions
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4
gridlock/position.py
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@ -47,13 +47,13 @@ class GridPosMixin(GridBase):
else: else:
low_bound = -0.5 low_bound = -0.5
high_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}') raise GridError(f'Position outside of grid: {ind}')
if round_ind: if round_ind:
rind = numpy.clip(numpy.round(ind).astype(int), 0, self.shape - 1) rind = numpy.clip(numpy.round(ind).astype(int), 0, self.shape - 1)
sxyz = self.shifted_xyz(which_shifts) sxyz = self.shifted_xyz(which_shifts)
position = [sxyz[a][rind[a]].astype(int) for a in range(3)] position = [sxyz[a][rind[a]] for a in range(3)]
else: else:
sexyz = self.shifted_exyz(which_shifts) sexyz = self.shifted_exyz(which_shifts)
position = [numpy.interp(ind[a], numpy.arange(sexyz[a].size) - 0.5, sexyz[a]) position = [numpy.interp(ind[a], numpy.arange(sexyz[a].size) - 0.5, sexyz[a])

21
gridlock/test/test_grid.py
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@ -118,6 +118,27 @@ def test_draw_2shift_4x4() -> None:
assert_allclose(arr, correct) 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: def test_draw_polygon_accepts_coplanar_nx3_vertices() -> None:
grid = Grid([[0, 1, 2], [0, 1, 2], [0, 1]], shifts=[[0, 0, 0]]) grid = Grid([[0, 1, 2], [0, 1, 2], [0, 1]], shifts=[[0, 0, 0]])
arr_2d = grid.allocate(0) arr_2d = grid.allocate(0)