Class pmr.chemime.VAMP
All Packages  Class Hierarchy  This Package  Previous  Next  Index

Class pmr.chemime.VAMP

java.lang.Object
   |
   +----java.awt.Component
           |
           +----java.awt.Container
                   |
                   +----java.awt.Panel
                           |
                           +----java.applet.Applet
                                   |
                                   +----pmr.simplegraph.SimpleApplet
                                           |
                                           +----pmr.sgml.SGMLApplet
                                                   |
                                                   +----pmr.sgml.SGMLTree
                                                           |
                                                           +----pmr.cml.CMLTree
                                                                   |
                                                                   +----pmr.chemime.ChemTree
                                                                           |
                                                                           +----pmr.chemime.VAMP

public class VAMP
extends ChemTree
class to read (? and write?) VAMP files

NOT COMPLETE

Author:
(C) P. Murray-Rust, 1996

Constructor Index

 o VAMP(String, StringList)
form a VAMP object from a local file
 o VAMP(String, StringList, String)
for a VAMP object as above, but OMIT all modules in String omit (e.g.

Method Index

 o main(String[])
this is only run when an application.
 o process()
 o readAtomAtomElect(boolean)
 o readAtomicMultipole(boolean)
 o readAtomicOrbitalElectron(boolean)
 o readC13(boolean)
 o readCartesian(boolean)
 o readConvergence(boolean)
 o readDipole(boolean)
 o readEigen(boolean)
 o readMolecularMultipole(boolean)
 o readPolarisability(boolean)
 o readScalar(boolean)
 o readThermo(boolean)
 o readZMAT(boolean)
 o showHelp()
display help

Constructors

 o 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
 o 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

Methods

 o showHelp
  public void showHelp()
display help
Overrides:
showHelp in class ChemTree
 o process
  protected void process() throws BadFileException
 o readZMAT
  public void readZMAT(boolean ignore)
 o readCartesian
  public void readCartesian(boolean ignore)
 o readConvergence
  public void readConvergence(boolean ignore)
 o readEigen
  public void readEigen(boolean ignore)
 o readDipole
  public void readDipole(boolean ignore)
 o readPolarisability
  public void readPolarisability(boolean ignore)
 o readAtomAtomElect
  public void readAtomAtomElect(boolean ignore)
 o readMolecularMultipole
  public void readMolecularMultipole(boolean ignore)
 o readAtomicMultipole
  public void readAtomicMultipole(boolean ignore)
 o readAtomicOrbitalElectron
  public void readAtomicOrbitalElectron(boolean ignore)
 o readC13
  public void readC13(boolean ignore)
 o readThermo
  public void readThermo(boolean ignore)
 o readScalar
  public void readScalar(boolean ignore)
 o main
  public static void main(String args[])
this is only run when an application.

All Packages  Class Hierarchy  This Package  Previous  Next  Index