org.jmol.modelset
Class Molecule

java.lang.Object
  extended by org.jmol.modelset.Molecule

 class Molecule
extends java.lang.Object


Field Summary
(package private)  int[] altElementCounts
           
(package private)  int altElementMax
           
(package private)  java.util.BitSet atomList
           
(package private)  int[] elementCounts
           
(package private)  int elementNumberMax
           
(package private)  int indexInModel
           
(package private)  java.lang.String mf
           
(package private)  int modelIndex
           
(package private)  ModelSet modelSet
           
(package private)  int moleculeIndex
           
(package private)  int nAtoms
           
(package private)  int nElements
           
 
Constructor Summary
Molecule(ModelSet modelSet, int moleculeIndex, java.util.BitSet atomList, int modelIndex, int indexInModel)
           
 
Method Summary
(package private)  void getElementAndAtomCount(java.util.BitSet atomList)
           
(package private)  java.util.Hashtable getInfo()
           
(package private)  java.lang.String getMolecularFormula()
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

modelSet

ModelSet modelSet

moleculeIndex

int moleculeIndex

modelIndex

int modelIndex

indexInModel

int indexInModel

nAtoms

int nAtoms

nElements

int nElements

elementCounts

int[] elementCounts

altElementCounts

int[] altElementCounts

elementNumberMax

int elementNumberMax

altElementMax

int altElementMax

mf

java.lang.String mf

atomList

java.util.BitSet atomList
Constructor Detail

Molecule

Molecule(ModelSet modelSet,
         int moleculeIndex,
         java.util.BitSet atomList,
         int modelIndex,
         int indexInModel)
Method Detail

getElementAndAtomCount

void getElementAndAtomCount(java.util.BitSet atomList)

getMolecularFormula

java.lang.String getMolecularFormula()

getInfo

java.util.Hashtable getInfo()