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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.more.HinReader
public class HinReader
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
Field Summary | |
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(package private) int |
atomIndex
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(package private) int |
baseAtomIndex
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Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader |
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ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, bsFilter, bsModels, calculationType, doApplySymmetry, filter, getHeader, haveAtomFilter, havePartialChargeFilter, htParams, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveSymmetryOperators, iHaveUnitCell, isTrajectory, latticeCells, line, modelNumber, needToApplySymmetry, next, prevline, reader, readerName, spaceGroup, templateAtomCount |
Constructor Summary | |
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HinReader()
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Method Summary | |
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(package private) java.lang.String |
getMolName()
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(package private) void |
processAtom()
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(package private) void |
processEndmol()
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(package private) void |
processMol()
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(package private) void |
readAtoms()
|
void |
readAtomSetCollection(java.io.BufferedReader reader)
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Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Field Detail |
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int atomIndex
int baseAtomIndex
Constructor Detail |
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public HinReader()
Method Detail |
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public void readAtomSetCollection(java.io.BufferedReader reader)
readAtomSetCollection
in class AtomSetCollectionReader
void readAtoms() throws java.lang.Exception
java.lang.Exception
void processMol() throws java.lang.Exception
java.lang.Exception
java.lang.String getMolName()
void processAtom() throws java.lang.Exception
java.lang.Exception
void processEndmol()
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