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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.simple.HyperChemReader
public class HyperChemReader
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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private int |
atomIndex
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private int |
baseAtomIndex
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Constructor Summary | |
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HyperChemReader()
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Method Summary | |
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protected boolean |
checkLine()
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private java.lang.String |
getMolName()
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private void |
processAtom()
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private void |
processMol()
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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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private int atomIndex
private int baseAtomIndex
Constructor Detail |
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public HyperChemReader()
Method Detail |
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protected boolean checkLine() throws java.lang.Exception
checkLine
in class AtomSetCollectionReader
java.lang.Exception
private void processMol() throws java.lang.Exception
java.lang.Exception
private java.lang.String getMolName()
private void processAtom() throws java.lang.Exception
java.lang.Exception
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