rdkit.Chem.Subshape.SubshapeObjects module¶

rdkit.Chem.Subshape.SubshapeObjects.DisplaySubshape(viewer, shape, name, showSkelPts=True, color=(1, 0, 1))¶

rdkit.Chem.Subshape.SubshapeObjects.DisplaySubshapeSkeleton(viewer, shape, name, color=(1, 0, 1), colorByOrder=False)¶

class rdkit.Chem.Subshape.SubshapeObjects.ShapeWithSkeleton(*args, **kwargs)¶

Bases: object

grid = None¶

skelPts = None¶

class rdkit.Chem.Subshape.SubshapeObjects.SkeletonPoint(*args, **kwargs)¶

Bases: object

featmapFeatures = None¶

fracVol = 0.0¶

location = None¶

molFeatures = None¶

shapeDirs = None¶

shapeMoments = None¶

class rdkit.Chem.Subshape.SubshapeObjects.SubshapeShape(*args, **kwargs)¶

Bases: object

featMap = None¶

keyFeat = None¶

shapes = None¶