org.jmol.modelset
class Molecule extends Object
| Field Summary | |
|---|---|
| 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 | |
|---|---|
| Molecule(ModelSet modelSet, int moleculeIndex, BitSet atomList, int modelIndex, int indexInModel) | |
| Method Summary | |
|---|---|
| void | getElementAndAtomCount(BitSet atomList) |
| Hashtable | getInfo() |
| String | getMolecularFormula() |