Add case when matrix is ill-conditioned for generic procrustes#210
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FanwangM merged 1 commit intotheochem:mainfrom Sep 17, 2024
Merged
Add case when matrix is ill-conditioned for generic procrustes#210FanwangM merged 1 commit intotheochem:mainfrom
FanwangM merged 1 commit intotheochem:mainfrom
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Codecov ReportAttention: Patch coverage is
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## main #210 +/- ##
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Coverage ? 94.13%
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Files ? 11
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Hits ? 754
Misses ? 47
Partials ? 0
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This is fixed by adding a small random noise, as discussed in #197.
The
pinvfunction is implemented inhttps://github.com/scipy/scipy/blob/4bd5e943cbf30efde4becea48c388faafa14e9e4/scipy/linalg/_basic.py#L1447, which replies on https://github.com/scipy/scipy/blob/4bd5e943cbf30efde4becea48c388faafa14e9e4/scipy/linalg/_decomp_svd.py#L13-L169. The implementation of
pinvonly checks explicitly if the tolerance values are valid.