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Fix documentation errors for rdShapeAlign (#8685)

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badisa
2025-08-09 23:51:09 -06:00
committed by GitHub
parent ccefda882d
commit 53a01430e0
1 changed files with 4 additions and 4 deletions
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8
External/pubchem_shape/Wrap/cshapealign.cpp vendored
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@@ -275,8 +275,8 @@ the supplied transformation matrix, applies that transformation to the
Parameters
----------
refShape : ShapeInput
Reference shape
finalTrans : list[float * 3]
The final translation to apply to conformer.
matrix: list[float * 12]
The transformation matrix
probeShape : ShapeInput
@@ -296,8 +296,8 @@ mol : RDKit.ROMol
Reference molecule
confId : int, optional
Conformer ID to use (default is -1)
useColors : bool, optional
Whether or not to assign chemical features (colors) (default is True)
opts : ShapeInputOptions, optional
Options for Shapeinput
Returns
-------