public class RetroSynthRuleInstance extends Object implements IRetroSynthRuleInstance
Constructor and Description |
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RetroSynthRuleInstance() |
Modifier and Type | Method and Description |
---|---|
double |
addScore(double scoreIncrement) |
List<org.openscience.cdk.interfaces.IAtom> |
getAtoms() |
org.openscience.cdk.interfaces.IAtomContainer |
getContainer() |
IRetroSynthRule |
getRule() |
double |
getScore() |
void |
setAtoms(List<org.openscience.cdk.interfaces.IAtom> atoms) |
void |
setRule(IRetroSynthRule rule) |
void |
setScore(double score) |
public List<org.openscience.cdk.interfaces.IAtom> getAtoms()
getAtoms
in interface IRetroSynthRuleInstance
public void setAtoms(List<org.openscience.cdk.interfaces.IAtom> atoms)
setAtoms
in interface IRetroSynthRuleInstance
public IRetroSynthRule getRule()
getRule
in interface IRetroSynthRuleInstance
public void setRule(IRetroSynthRule rule)
setRule
in interface IRetroSynthRuleInstance
public org.openscience.cdk.interfaces.IAtomContainer getContainer()
getContainer
in interface IRetroSynthRuleInstance
public double getScore()
getScore
in interface IRetroSynthRuleInstance
public void setScore(double score)
setScore
in interface IRetroSynthRuleInstance
public double addScore(double scoreIncrement)
addScore
in interface IRetroSynthRuleInstance
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