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

source code

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=0) 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__