Package rdkit :: Package Chem :: Package Subshape :: Module SubshapeBuilder :: Class SubshapeBuilder

Class SubshapeBuilder

object --+
         |
        SubshapeBuilder

Instance Methods

[hide private]

SampleSubshape(self, subshape1, newSpacing)

source code

GenerateSubshapeShape(self, cmpd, confId=-1, addSkeleton=True, **kwargs)

source code

__call__(self, cmpd, **kwargs)

source code

GenerateSubshapeSkeleton(self, shape, conf=None, terminalPtsOnly=False, skelFromConf=True)

source code

CombineSubshapes(self, subshape1, subshape2, operation=SubshapeCombineOperations.UNION)

source code

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __init__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

[hide private]

gridDims = 20, 15, 10

gridSpacing = 0.5

winRad = 3.0

nbrCount = 7

terminalPtRadScale = 0.75

fraction = 0.25

stepSize = 1.0

featFactory = None
hash(x)

Properties

[hide private]

Inherited from object: __class__