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joelib.io.types.cml
Class MoleculeHuge  

java.lang.Object
  joelib.io.types.cml.MoleculeHuge

All Implemented Interfaces:

CMLMoleculeWriter

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public class MoleculeHuge

extends java.lang.Object

implements CMLMoleculeWriter

CML molecule writing all informations explicitely.

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Field Summary
private static org.apache.log4j.Category	logger           Obtain a suitable logger.
private  CMLWriterProperties	writerProp

 

Constructor Summary

MoleculeHuge(CMLWriterProperties _writerProp)

 

Method Summary
private  void	write(java.io.PrintStream ps, joelib.molecule.JOEAtom atom, boolean write2D, boolean write3D, joelib.desc.result.AtomDoubleResult x, joelib.desc.result.AtomDoubleResult y)           Description of the Method
private  void	write(java.io.PrintStream ps, joelib.molecule.JOEBond bond)           Description of the Method
void	write(java.io.PrintStream ps, joelib.molecule.JOEMol mol, boolean writePairData, java.util.Vector attribs2write)
private  void	write2D(java.io.PrintStream ps, joelib.math.XYZVector p, joelib.desc.result.AtomDoubleResult x, joelib.desc.result.AtomDoubleResult y, int index)
private  void	write3D(java.io.PrintStream ps, joelib.math.XYZVector p)           Description of the Method

 

Methods inherited from class java.lang.Object

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

 

Field Detail

logger

private static org.apache.log4j.Category logger

Obtain a suitable logger.

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writerProp

private CMLWriterProperties writerProp

Constructor Detail

MoleculeHuge

public MoleculeHuge(CMLWriterProperties _writerProp)

Method Detail

write

public void write(java.io.PrintStream ps,
                  joelib.molecule.JOEMol mol,
                  boolean writePairData,
                  java.util.Vector attribs2write)

Specified by:

write in interface CMLMoleculeWriter

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write

private void write(java.io.PrintStream ps,
                   joelib.molecule.JOEAtom atom,
                   boolean write2D,
                   boolean write3D,
                   joelib.desc.result.AtomDoubleResult x,
                   joelib.desc.result.AtomDoubleResult y)

Description of the Method

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write

private void write(java.io.PrintStream ps,
                   joelib.molecule.JOEBond bond)

Description of the Method

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write2D

private void write2D(java.io.PrintStream ps,
                     joelib.math.XYZVector p,
                     joelib.desc.result.AtomDoubleResult x,
                     joelib.desc.result.AtomDoubleResult y,
                     int index)

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write3D

private void write3D(java.io.PrintStream ps,
                     joelib.math.XYZVector p)

Description of the Method

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SUMMARY:  JAVADOC |  SOURCE |  DOWNLOAD | NESTED | FIELD | CONSTR | METHOD	DETAIL: FIELD | CONSTR | METHOD

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