Class pmr.chemime.VAMP
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Class pmr.chemime.VAMP
java.lang.Object
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+----java.awt.Component
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+----java.awt.Container
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+----java.awt.Panel
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+----java.applet.Applet
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+----pmr.simplegraph.SimpleApplet
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+----pmr.sgml.SGMLApplet
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+----pmr.sgml.SGMLTree
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+----pmr.cml.CMLTree
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+----pmr.chemime.ChemTree
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+----pmr.chemime.VAMP
- public class VAMP
- extends ChemTree
class to read (? and write?) VAMP files
NOT COMPLETE
- Author:
- (C) P. Murray-Rust, 1996
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VAMP(String, StringList)
- form a VAMP object from a local file
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VAMP(String, StringList, String)
- for a VAMP object as above, but OMIT all modules in String omit
(e.g.
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main(String[])
- this is only run when an application.
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process()
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readAtomAtomElect(boolean)
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readAtomicMultipole(boolean)
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readAtomicOrbitalElectron(boolean)
-
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readC13(boolean)
-
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readCartesian(boolean)
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readConvergence(boolean)
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readDipole(boolean)
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readEigen(boolean)
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readMolecularMultipole(boolean)
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readPolarisability(boolean)
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readScalar(boolean)
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readThermo(boolean)
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readZMAT(boolean)
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showHelp()
- display help
VAMP
public VAMP(String filename,
StringList lines) throws BadFileException
- form a VAMP object from a local file
- Parameters:
- filename - name of file to read from (or title if lines != null)
- lines - if lines != null, use this as file content instead of filename
- Throws: BadFileException
- file was not a standard VAMP file
VAMP
public VAMP(String filename,
StringList lines,
String omit) throws BadFileException
- for a VAMP object as above, but OMIT all modules in String omit
(e.g. "Eigen Thermo")
- Throws: BadFileException
- file was not a standard VAMP file
showHelp
public void showHelp()
- display help
- Overrides:
- showHelp in class ChemTree
process
protected void process() throws BadFileException
readZMAT
public void readZMAT(boolean ignore)
readCartesian
public void readCartesian(boolean ignore)
readConvergence
public void readConvergence(boolean ignore)
readEigen
public void readEigen(boolean ignore)
readDipole
public void readDipole(boolean ignore)
readPolarisability
public void readPolarisability(boolean ignore)
readAtomAtomElect
public void readAtomAtomElect(boolean ignore)
readMolecularMultipole
public void readMolecularMultipole(boolean ignore)
readAtomicMultipole
public void readAtomicMultipole(boolean ignore)
readAtomicOrbitalElectron
public void readAtomicOrbitalElectron(boolean ignore)
readC13
public void readC13(boolean ignore)
readThermo
public void readThermo(boolean ignore)
readScalar
public void readScalar(boolean ignore)
main
public static void main(String args[])
- this is only run when an application.
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