Package | Description |
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org.openscience.smsd.algorithm.rgraph |
Modifier and Type | Method and Description |
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static CDKRGraph |
CDKMCS.buildRGraph(org.openscience.cdk.interfaces.IAtomContainer g1,
org.openscience.cdk.interfaces.IAtomContainer g2,
boolean shouldMatchBonds,
boolean shouldMatchRings,
boolean matchAtomType)
Builds the
CDKRGraph ( resolution graph ), from two atomContainer
(description of the two molecules to compare) This is the interface point
between the CDK model and the generic MCSS algorithm based on the RGRaph. |