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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.xtal.SiestaReader
public class SiestaReader
SIESTA http://www.icmab.es/siesta/
Field Summary | |
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private int |
noAtoms
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private float[] |
unitCellData
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Constructor Summary | |
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SiestaReader()
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Method Summary | |
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protected boolean |
checkLine()
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protected void |
initializeReader()
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private void |
newAtomSet()
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private void |
readAtomsCartGeomThenCell()
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private void |
readCellThenAtomsCartesian()
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private void |
setCell()
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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 noAtoms
private float[] unitCellData
Constructor Detail |
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public SiestaReader()
Method Detail |
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protected void initializeReader()
initializeReader
in class AtomSetCollectionReader
protected boolean checkLine() throws java.lang.Exception
checkLine
in class AtomSetCollectionReader
java.lang.Exception
private void setCell() throws java.lang.Exception
java.lang.Exception
private void readCellThenAtomsCartesian() throws java.lang.Exception
java.lang.Exception
private void newAtomSet() throws java.lang.Exception
java.lang.Exception
private void readAtomsCartGeomThenCell() throws java.lang.Exception
java.lang.Exception
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