Package com.actelion.research.chem.mmp

Class MMPFragments

java.lang.Object

com.actelion.research.chem.mmp.MMPFragments

public class MMPFragments
extends java.lang.Object

Constructor Summary

Constructors

Constructor	Description
MMPFragments()

Method Summary

Modifier and Type	Method	Description
void	addFragments(int moleculeIndex, MMPFragmenter.MoleculeIndexID moleculeIndexID)	Adds a new molecule fragment
void	addFragments(int moleculeIndex, java.util.List<MMPFragmenter.MoleculeIndexID> moleculeIndexesID)	Adds all molecule fragmentation variations
int	getFragmentsCount()	Get the number of fragments
void	writeFragments(java.io.PrintWriter printWriter)	Writes the Molecules Fragments block

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

MMPFragments

public MMPFragments()
             throws java.io.IOException

Throws:

java.io.IOException

Method Detail

addFragments

public void addFragments(int moleculeIndex,
                         java.util.List<MMPFragmenter.MoleculeIndexID> moleculeIndexesID)

Adds all molecule fragmentation variations

Parameters:

moleculeIndex - Index of the molecule

moleculeIndexesID - All fragmentation variations

addFragments

public void addFragments(int moleculeIndex,
                         MMPFragmenter.MoleculeIndexID moleculeIndexID)

Adds a new molecule fragment

Parameters:

moleculeIndex - Index of the molecule

moleculeIndexID - One fragmentation variation of the molecule

writeFragments

public void writeFragments(java.io.PrintWriter printWriter)
                    throws java.io.IOException

Writes the Molecules Fragments block

Parameters:

printWriter -

Throws:

java.io.IOException

getFragmentsCount

public int getFragmentsCount()

Get the number of fragments

Returns: