Package | Description |
---|---|
uk.ac.ebi.reactionblast.mechanism | |
uk.ac.ebi.reactionblast.tools |
Modifier and Type | Method and Description |
---|---|
BondChangeCalculator |
MappingSolution.getBondChangeCalculator() |
Constructor and Description |
---|
MappingSolution(BondChangeCalculator bondChangeCalculator,
IMappingAlgorithm ma,
org.openscience.cdk.interfaces.IReaction reaction,
Reactor reactor,
double bondEnergyChange,
int totalCarbonBondChanges,
int totalBondChanges,
int totalFragmentChanges,
int totalStereoChanges,
int smallestFragmentCount,
int localScore,
double energyDelta) |
Modifier and Type | Method and Description |
---|---|
BondChangeCalculator |
MappingUtility.map(java.lang.String reactionID,
java.lang.String directory) |
BondChangeCalculator |
MappingUtility.testRCReactions(java.lang.String reactionID,
java.lang.String directory) |