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=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__`