@TestClass(value="org.openscience.cdk.smsd.SMSDBondSensitiveTest") public final class GenerateCompatibilityGraph extends Object
Constructor and Description |
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GenerateCompatibilityGraph()
Default constructor added
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GenerateCompatibilityGraph(IAtomContainer source,
IAtomContainer target,
boolean shouldMatchBonds)
Generates a compatibility graph between two molecules
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public GenerateCompatibilityGraph()
public GenerateCompatibilityGraph(IAtomContainer source, IAtomContainer target, boolean shouldMatchBonds) throws IOException
source
- target
- shouldMatchBonds
- IOException