rdkit.Chem.Subshape.SubshapeAligner.SubshapeAligner

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

source code

    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__`, `__getattribute__`, `__hash__`, `__init__`, `__new__`, `__reduce__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

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) | source code
    this is a generator function returning the possible triangle
    matches between the two shapes