public class ReactionInfoCollector
extends java.lang.Object
implements java.io.Serializable
Constructor and Description |
---|
ReactionInfoCollector(java.lang.String sourceDbID,
org.openscience.cdk.interfaces.IReaction.Direction direction) |
Modifier and Type | Method and Description |
---|---|
IPatternFingerprinter |
getCfFp() |
org.openscience.cdk.interfaces.IReaction.Direction |
getDirection() |
IPatternFingerprinter |
getOcFp() |
java.util.BitSet |
getPorFp() |
java.util.BitSet |
getRorFp() |
java.lang.String |
getSourceDbID() |
IPatternFingerprinter |
getStFp() |
void |
setBondChangeFingerprints(IPatternFingerprinter cfFp,
IPatternFingerprinter ocFp,
IPatternFingerprinter stFP) |
void |
setStructuralFingerprints(java.util.BitSet rorFp,
java.util.BitSet porFp) |
public ReactionInfoCollector(java.lang.String sourceDbID, org.openscience.cdk.interfaces.IReaction.Direction direction)
sourceDbID
- direction
- public void setStructuralFingerprints(java.util.BitSet rorFp, java.util.BitSet porFp)
rorFp
- porFp
- public void setBondChangeFingerprints(IPatternFingerprinter cfFp, IPatternFingerprinter ocFp, IPatternFingerprinter stFP)
cfFp
- ocFp
- stFP
- public java.util.BitSet getRorFp()
public java.util.BitSet getPorFp()
public IPatternFingerprinter getCfFp()
public IPatternFingerprinter getOcFp()
public IPatternFingerprinter getStFp()
public org.openscience.cdk.interfaces.IReaction.Direction getDirection()
public java.lang.String getSourceDbID()