Package | Description |
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org.openscience.cdk.smsd.algorithm.rgraph |
Modifier and Type | Method and Description |
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static CDKRGraph |
CDKMCS.buildRGraph(IAtomContainer sourceGraph,
IAtomContainer targetGraph,
boolean shouldMatchBonds)
Deprecated.
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.
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