org.jmol.modelset
class Molecule extends Object
Field Summary | |
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int[] | altElementCounts |
int | altElementMax |
BitSet | atomList |
int[] | elementCounts |
int | elementNumberMax |
int | indexInModel |
String | mf |
int | modelIndex |
ModelSet | modelSet |
int | moleculeIndex |
int | nAtoms |
int | nElements |
Constructor Summary | |
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Molecule(ModelSet modelSet, int moleculeIndex, BitSet atomList, int modelIndex, int indexInModel) |
Method Summary | |
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void | getElementAndAtomCount(BitSet atomList) |
Hashtable | getInfo() |
String | getMolecularFormula() |