public class SignatureRootFinder
extends java.lang.Object
Modifier and Type | Method and Description |
---|---|
static java.util.List<RootSystem> |
findRootSystems(org.openscience.cdk.interfaces.IAtomContainer atomContainer,
java.util.List<org.openscience.cdk.interfaces.IBond> bondChanges,
java.util.List<org.openscience.cdk.interfaces.IAtom> atomChanges) |
static java.util.Map<org.openscience.cdk.interfaces.IAtomContainer,java.util.List<RootSystem>> |
findRootSystems(org.openscience.cdk.interfaces.IReaction reaction,
java.util.List<org.openscience.cdk.interfaces.IBond> bondChanges,
java.util.List<org.openscience.cdk.interfaces.IAtom> atomChanges) |
static java.util.List<RootSystem> |
findRootSystems(org.openscience.cdk.interfaces.IReaction reaction,
java.util.List<java.lang.String> signatureStrings) |
static java.util.Map<org.openscience.cdk.interfaces.IAtomContainer,java.util.List<RootSystem>> |
findRootSystems(RBlastReaction rblReaction) |
public static java.util.Map<org.openscience.cdk.interfaces.IAtomContainer,java.util.List<RootSystem>> findRootSystems(RBlastReaction rblReaction)
rblReaction
- public static java.util.Map<org.openscience.cdk.interfaces.IAtomContainer,java.util.List<RootSystem>> findRootSystems(org.openscience.cdk.interfaces.IReaction reaction, java.util.List<org.openscience.cdk.interfaces.IBond> bondChanges, java.util.List<org.openscience.cdk.interfaces.IAtom> atomChanges)
reaction
- bondChanges
- atomChanges
- public static java.util.List<RootSystem> findRootSystems(org.openscience.cdk.interfaces.IAtomContainer atomContainer, java.util.List<org.openscience.cdk.interfaces.IBond> bondChanges, java.util.List<org.openscience.cdk.interfaces.IAtom> atomChanges)
atomContainer
- bondChanges
- atomChanges
- public static java.util.List<RootSystem> findRootSystems(org.openscience.cdk.interfaces.IReaction reaction, java.util.List<java.lang.String> signatureStrings)
reaction
- signatureStrings
-