org.jmol.adapter.readers.more

Class HinReader

public class HinReader extends AtomSetCollectionReader

Support for .hin, HyperChem's native file format. http://www.hyper.com

Record format is: atom 1 - C ** - -0.06040 0.00000 0.00000 0.00000 3 2 a 6 a 38 s ... atom 67 - H ** - 0.17710 -7.10260 -3.74840 2.24660 1 34 s endmol 1 interesting fields are partialCharge, x, y, z, bondCount
bonds are atom number and s/d/t/a for single/double/triple/aromatic

Field Summary
intatomIndex
intbaseAtomIndex
Method Summary
StringgetMolName()
voidprocessAtom()
voidprocessEndmol()
voidprocessMol()
voidreadAtoms()
AtomSetCollectionreadAtomSetCollection(BufferedReader reader)

Field Detail

atomIndex

int atomIndex

baseAtomIndex

int baseAtomIndex

Method Detail

getMolName

String getMolName()

processAtom

void processAtom()

processEndmol

void processEndmol()

processMol

void processMol()

readAtoms

void readAtoms()

readAtomSetCollection

public AtomSetCollection readAtomSetCollection(BufferedReader reader)