diff --git a/External/pubchem_shape/Wrap/cshapealign.cpp b/External/pubchem_shape/Wrap/cshapealign.cpp index e2b1ea4a9..e84380308 100644 --- a/External/pubchem_shape/Wrap/cshapealign.cpp +++ b/External/pubchem_shape/Wrap/cshapealign.cpp @@ -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 -------