T
- public interface IChemicalFilter<T>
Modifier and Type | Method and Description |
---|---|
void |
addScore(int counter,
T value) |
void |
clearScores() |
void |
fillMap(java.util.Map<java.lang.Integer,T> map) |
java.util.List<T> |
getScores() |
T |
sortResults(java.util.Map<java.lang.Integer,AtomAtomMapping> allAtomMCS,
java.util.Map<java.lang.Integer,T> selectionMap)
Calculates a score for each MCS, and sorts the results on that score,
returning the best.
|
T sortResults(java.util.Map<java.lang.Integer,AtomAtomMapping> allAtomMCS, java.util.Map<java.lang.Integer,T> selectionMap) throws org.openscience.cdk.exception.CDKException
allAtomMCS
- selectionMap
- org.openscience.cdk.exception.CDKException
java.util.List<T> getScores()
void clearScores()
void addScore(int counter, T value)
counter
- value
- void fillMap(java.util.Map<java.lang.Integer,T> map)
map
-