Package rdkit :: Package Chem :: Package Subshape :: Module SubshapeAligner :: Class SubshapeAligner

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# Class SubshapeAligner

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    object --+
             |
            SubshapeAligner

Instance Methods | [hide private]

GetTriangleMatches(self, target, query) this is a generator function returning the possible triangle... | source code

_checkMatchFeatures(self, targetPts, queryPts, alignment) | source code

PruneMatchesUsingFeatures(self, target, query, alignments, pruneStats=None) | source code

_checkMatchDirections(self, targetPts, queryPts, alignment) | source code

PruneMatchesUsingDirection(self, target, query, alignments, pruneStats=None) | source code

_addCoarseAndMediumGrids(self, mol, tgt, confId, builder) | source code

_checkMatchShape(self, targetMol, target, queryMol, query, alignment, builder, targetConf, queryConf, pruneStats=None, tConfId=1001) | source code

PruneMatchesUsingShape(self, targetMol, target, queryMol, query, builder, alignments, tgtConf=-1, queryConf=-1, pruneStats=None) | source code

GetSubshapeAlignments(self, targetMol, target, queryMol, query, builder, tgtConf=-1, queryConf=-1, pruneStats=None) | source code

__call__(self, targetMol, target, queryMol, query, builder, tgtConf=-1, queryConf=-1, pruneStats=None) | source code

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

Class Variables | [hide private]

| triangleRMSTol = `1.0`
| distMetric = `1`
| shapeDistTol = `0.2`
| numFeatThresh = `3`
| dirThresh = `2.6`
| edgeTol = `6.0`
| coarseGridToleranceMult = `1.0`
| medGridToleranceMult = `1.0`

Properties | [hide private]

Inherited from `object`: `__class__`

Method Details | [hide private]

### GetTriangleMatches(self, target, query)

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    this is a generator function returning the possible triangle
    matches between the two shapes