Modifier and Type | Method and Description |
---|---|
IMappingAlgorithm |
Reactor.getAlgorithm() |
Modifier and Type | Method and Description |
---|---|
java.util.Map<IMappingAlgorithm,Reactor> |
CallableAtomMappingTool.getSolutions() |
Modifier and Type | Method and Description |
---|---|
IMappingAlgorithm |
Holder.getTheory() |
Modifier and Type | Method and Description |
---|---|
static IGameTheory |
GameTheoryFactory.make(IMappingAlgorithm theory,
org.openscience.cdk.interfaces.IReaction reaction,
boolean removeHydrogen,
java.util.Map<java.lang.Integer,org.openscience.cdk.interfaces.IAtomContainer> educts,
java.util.Map<java.lang.Integer,org.openscience.cdk.interfaces.IAtomContainer> products,
GameTheoryMatrix rpsh) |
void |
Holder.setTheory(IMappingAlgorithm theory) |
Constructor and Description |
---|
CalculationProcess(boolean removeHydrogen,
org.openscience.cdk.interfaces.IReaction reaction,
IMappingAlgorithm algorithm) |
GameTheoryMatrix(IMappingAlgorithm theory,
org.openscience.cdk.interfaces.IReaction reaction,
boolean removeHydrogen)
Creates a new instance of GameTheoryMatrix
|
Holder(IMappingAlgorithm theory,
java.lang.String reactionID,
java.util.List<java.lang.String> eductCounter,
java.util.List<java.lang.String> productCounter,
ReactionContainer reactionContainer,
BestMatch bestMatchContainer,
HydrogenFreeFingerPrintContainer hydFPFree) |
Modifier and Type | Field and Description |
---|---|
protected IMappingAlgorithm |
MCSThread.theory |
Modifier and Type | Method and Description |
---|---|
static IMappingAlgorithm |
IMappingAlgorithm.valueOf(java.lang.String name)
Returns the enum constant of this type with the specified name.
|
static IMappingAlgorithm[] |
IMappingAlgorithm.values()
Returns an array containing the constants of this enum type, in
the order they are declared.
|
Modifier and Type | Method and Description |
---|---|
<status> int |
IMappingAlgorithm.compareTo(IMappingAlgorithm obj)
Compares algorithm types.
|
Modifier and Type | Method and Description |
---|---|
IMappingAlgorithm |
MappingSolution.getAlgorithmID() |
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) |