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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.molxyz.XyzReader
public class XyzReader
Minnesota SuperComputer Center XYZ file format simple symmetry extension via load command: 9/2006 hansonr@stolaf.edu setAtomCoord(atom) applySymmetryAndSetTrajectory() extended to read XYZI files (Bob's invention -- allows isotope numbers) extended to read XYZ files with fractional charges as, for example: http://www.ccl.net/cca/software/SOURCES/FORTRAN/molden/test/reacpth.xyz http://web.archive.org/web/20000120031517/www.msc.edu/msc/docs/xmol/v1.3/g94toxyz.c
Field Summary |
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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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XyzReader()
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Method Summary | |
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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 |
readAtomSetName()
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private void |
skipAtomSet(int modelAtomCount)
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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 |
Constructor Detail |
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public XyzReader()
Method Detail |
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public void readAtomSetCollection(java.io.BufferedReader reader)
readAtomSetCollection
in class AtomSetCollectionReader
private void skipAtomSet(int modelAtomCount) throws java.lang.Exception
java.lang.Exception
private int readAtomCount() throws java.lang.Exception
java.lang.Exception
private void readAtomSetName() throws java.lang.Exception
java.lang.Exception
private void readAtoms(int modelAtomCount) throws java.lang.Exception
java.lang.Exception
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