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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.more.GromacsReader
public class GromacsReader
Field Summary | |
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protected java.lang.String |
fileType
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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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GromacsReader()
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Method Summary | |
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(package private) java.lang.String |
deduceElementSymbol(java.lang.String group3,
java.lang.String atomName)
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private int |
readAtomCount()
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private void |
readAtoms(int modelAtomCount)
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void |
readAtomSetCollection(java.io.BufferedReader reader)
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private void |
readHeader()
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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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protected java.lang.String fileType
Constructor Detail |
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public GromacsReader()
Method Detail |
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public void readAtomSetCollection(java.io.BufferedReader reader)
readAtomSetCollection
in class AtomSetCollectionReader
private int readAtomCount() throws java.lang.Exception
java.lang.Exception
private void readHeader() throws java.lang.Exception
java.lang.Exception
private void readAtoms(int modelAtomCount) throws java.lang.Exception
java.lang.Exception
java.lang.String deduceElementSymbol(java.lang.String group3, java.lang.String atomName)
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