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raise ValueError if the the number of regression points is less than the number of parameters in _residual #249

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Merged
sbillinge merged 8 commits into from
Aug 23, 2025
Merged

raise ValueError if the the number of regression points is less than the number of parameters in _residual #249

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bc24486
raise `ValueError` if the the number of regression points is less tha…
ycexiao Aug 18, 2025
f537512
test: add test for not enough shared grid points the bad case.
ycexiao Aug 20, 2025
9832900
chore: fix typo
ycexiao Aug 20, 2025
71f10e5
chore: more concise error message
ycexiao Aug 21, 2025
935dd8e
chore: fix pre-commit
ycexiao Aug 21, 2025
91fa347
fix: use a custom error to stop `leatsq`
ycexiao Aug 22, 2025
5b0f30b
Revert "fix: use a custom error to stop `leatsq`"
ycexiao Aug 22, 2025
daf51c3
chore: fix the code indentation.
ycexiao Aug 22, 2025
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chore: more concise error message
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@ycexiao
ycexiao committed Aug 21, 2025
commit 71f10e585617be3b09aa79023756ed338b558a41
14 changes: 6 additions & 8 deletions src/diffpy/morph/refine.py
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Expand Up @@ -85,14 +85,12 @@ def _residual(self, pvals):
rvec = _y_target - _y_morph
if len(rvec) < len(pvals):
raise ValueError(
f"\nNumber of shared grid points: {len(rvec)}\n"
f"Number of parameters: {len(pvals)}\n"
"Not enough shared grid points "
"between the morphed function and the target function to fit "
"the chosen parameters.\n"
"Please make sure the overlapping domain between the morphed "
"function and the target function is sufficiently large, or "
"reduce the number of parameters."
f"\nNumber of parameters (currently {len(pvals)}) cannot "
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sbillinge marked this conversation as resolved.
"exceed the number of shared grid points "
f"(currently {len(rvec)}). "
"Please reduce the number of morphing parameters or "
"provide new morphing and target functions with more "
"shared grid points."
)
# If first time computing residual
if self.res_length is None:
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14 changes: 6 additions & 8 deletions tests/test_refine.py
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Expand Up @@ -194,14 +194,12 @@ def test_refine_grid_bad(self, user_filesystem):
refiner = Refiner(chain, grid1, func1, grid2, func2)
refpars = ["stretch", "scale", "smear"]
expected_error_message = (
"\nNumber of shared grid points: 2\n"
"Number of parameters: 3\n"
"Not enough shared grid points "
"between the morphed function and the target function to fit "
"the chosen parameters.\n"
"Please make sure the overlapping domain between the morphed "
"function and the target function is sufficiently large, or "
"reduce the number of parameters."
f"\nNumber of parameters (currently 3) cannot "
"exceed the number of shared grid points "
f"(currently 2). "
"Please reduce the number of morphing parameters or "
"provide new morphing and target functions with more "
"shared grid points."
)
with pytest.raises(
ValueError,
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