Constructor and Description |
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Block(org.openscience.cdk.interfaces.IAtomContainer atomContainer) |
Modifier and Type | Method and Description |
---|---|
void |
addMapping(org.openscience.cdk.interfaces.IAtom atom,
org.openscience.cdk.interfaces.IAtom partner) |
int |
compareTo(Block o) |
org.openscience.cdk.interfaces.IAtomContainer |
getAtomContainer() |
int |
getAtomCount() |
java.util.List<org.openscience.cdk.interfaces.IAtom> |
getAtoms() |
java.awt.geom.Rectangle2D |
getBounds() |
javax.vecmath.Point2d |
getCenterPoint() |
int[] |
getLabels() |
int[] |
getMappingPermutation() |
Block |
getPartner() |
java.lang.String |
getSignatureString() |
SubgraphMoleculeSignature |
getSubgraphSignature() |
void |
setCenterPoint(javax.vecmath.Point2d centerPoint) |
void |
setPartner(Block partner) |
java.lang.String |
toString() |
public Block(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
atomContainer
- public int[] getMappingPermutation()
public void setPartner(Block partner)
partner
- public Block getPartner()
public void addMapping(org.openscience.cdk.interfaces.IAtom atom, org.openscience.cdk.interfaces.IAtom partner)
atom
- partner
- public void setCenterPoint(javax.vecmath.Point2d centerPoint)
centerPoint
- public javax.vecmath.Point2d getCenterPoint()
public java.awt.geom.Rectangle2D getBounds()
public int compareTo(Block o)
compareTo
in interface java.lang.Comparable<Block>
public int getAtomCount()
public int[] getLabels()
public SubgraphMoleculeSignature getSubgraphSignature()
public java.lang.String getSignatureString()
public org.openscience.cdk.interfaces.IAtomContainer getAtomContainer()
public java.util.List<org.openscience.cdk.interfaces.IAtom> getAtoms()
public java.lang.String toString()
toString
in class java.lang.Object