public class Fragment extends java.lang.Object implements java.lang.Comparable<Fragment>, java.io.Serializable
Constructor and Description |
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Fragment(org.openscience.cdk.interfaces.IAtomContainer container) |
Modifier and Type | Method and Description |
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int |
compareTo(Fragment t) |
boolean |
equals(java.lang.Object obj) |
org.openscience.cdk.interfaces.IAtomContainer |
getContainer() |
java.util.BitSet |
getFingerprint() |
int |
hashCode() |
static java.lang.String |
toSmiles(org.openscience.cdk.interfaces.IAtomContainer ac)
Return SMILES
|
public Fragment(org.openscience.cdk.interfaces.IAtomContainer container) throws org.openscience.cdk.exception.CDKException
container
- org.openscience.cdk.exception.CDKException
public static java.lang.String toSmiles(org.openscience.cdk.interfaces.IAtomContainer ac) throws org.openscience.cdk.exception.CDKException
ac
- org.openscience.cdk.exception.CDKException
public org.openscience.cdk.interfaces.IAtomContainer getContainer()
public boolean equals(java.lang.Object obj)
equals
in class java.lang.Object
public int hashCode()
hashCode
in class java.lang.Object
public int compareTo(Fragment t)
compareTo
in interface java.lang.Comparable<Fragment>
public java.util.BitSet getFingerprint()