public class BondChange
extends java.lang.Object
implements java.io.Serializable
Constructor and Description |
---|
BondChange(org.openscience.cdk.interfaces.IBond reactantBond,
org.openscience.cdk.interfaces.IBond productBond) |
Modifier and Type | Method and Description |
---|---|
static int |
convertBondOrder(org.openscience.cdk.interfaces.IBond bond) |
static int |
convertBondStereo(org.openscience.cdk.interfaces.IBond bond) |
float |
getBondChangeDelta() |
org.openscience.cdk.interfaces.IBond |
getProductBond() |
org.openscience.cdk.interfaces.IBond |
getReactantBond() |
java.lang.String |
toString() |
public BondChange(org.openscience.cdk.interfaces.IBond reactantBond, org.openscience.cdk.interfaces.IBond productBond)
reactantBond
- productBond
- public static int convertBondOrder(org.openscience.cdk.interfaces.IBond bond)
bond
- public static int convertBondStereo(org.openscience.cdk.interfaces.IBond bond)
bond
- public org.openscience.cdk.interfaces.IBond getReactantBond()
public org.openscience.cdk.interfaces.IBond getProductBond()
public float getBondChangeDelta()
public java.lang.String toString()
toString
in class java.lang.Object