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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.simple.AmpacReader
public class AmpacReader
A reader for AMPAC output. http://www.semichem.com/ampac/
Field Summary | |
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private int |
atomCount
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private javax.vecmath.Point3f[] |
atomPositions
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private int |
freqAtom0
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private float[] |
partialCharges
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Constructor Summary | |
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AmpacReader()
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Method Summary | |
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protected boolean |
checkLine()
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private void |
readCoordinates()
Reads a set of coordinates |
private void |
readFrequencies()
Reads a set of vibrations. |
private void |
readPartialCharges()
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private void |
setPositions()
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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 atomCount
private int freqAtom0
private float[] partialCharges
private javax.vecmath.Point3f[] atomPositions
Constructor Detail |
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public AmpacReader()
Method Detail |
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protected boolean checkLine() throws java.lang.Exception
checkLine
in class AtomSetCollectionReader
java.lang.Exception
private void readCoordinates() throws java.lang.Exception
java.lang.Exception
- if an I/O error occursprivate void setPositions()
private void readPartialCharges() throws java.lang.Exception
java.lang.Exception
private void readFrequencies() throws java.lang.Exception
java.lang.Exception
- if an I/O error occurs
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