Class pmr.chemime.G94 
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Class pmr.chemime.G94 

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.G94
public class G94
extends ChemTree
class to read (? and write?) G94 (US) files

NOT COMPLETE

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

Constructor Index

o G94(String, StringList)
form a G94 object from a local file
o G94(String, StringList, String)
for a G94 object as above, but OMIT all modules in String omit (e.g.

Method Index

o getDouble(String)
gaussian uses D+dd and D-dd for real numbers so convert these to E+-
o main(String[])
this is only run when an application.
o process()
o readl1(boolean)
o readl1002(boolean)
o readl101(boolean)
o readl103(boolean)
o readl1101(boolean)
o readl1102(boolean)
o readl1110(boolean)
o readl202(boolean)
o readl301(boolean)
o readl302(boolean)
o readl303(boolean)
o readl311(boolean)
o readl314(boolean)
o readl401(boolean)
o readl502(boolean)
o readl601(boolean)
o readl602(boolean)
o readl701(boolean)
o readl702(boolean)
o readl703(boolean)
o readl716(boolean)
o readl801(boolean)
o readl9999(boolean)
o showHelp()
display help

Constructors

o G94 
  public G94(String filename,
             StringList lines) throws BadFileException
form a G94 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 G94 file
o G94 
  public G94(String filename,
             StringList lines,
             String omit) throws BadFileException
for a G94 object as above, but OMIT all modules in String omit (e.g. "202 716")
Throws: BadFileException
file was not a standard G94 file

Methods

o showHelp 
  public void showHelp()
display help
Overrides:
showHelp in class ChemTree
o process 
  protected void process() throws BadFileException
o readl1 
  public void readl1(boolean ignore)
o readl101 
  public void readl101(boolean ignore)
o readl103 
  public void readl103(boolean ignore)
o readl202 
  public void readl202(boolean ignore)
o readl301 
  public void readl301(boolean ignore)
o readl302 
  public void readl302(boolean ignore)
o readl311 
  public void readl311(boolean ignore)
o readl314 
  public void readl314(boolean ignore)
o readl303 
  public void readl303(boolean ignore)
o readl401 
  public void readl401(boolean ignore)
o readl502 
  public void readl502(boolean ignore)
o readl601 
  public void readl601(boolean ignore)
o readl602 
  public void readl602(boolean ignore)
o readl701 
  public void readl701(boolean ignore)
o readl702 
  public void readl702(boolean ignore)
o readl703 
  public void readl703(boolean ignore)
o readl716 
  public void readl716(boolean ignore)
o readl801 
  public void readl801(boolean ignore)
o readl1002 
  public void readl1002(boolean ignore)
o readl1101 
  public void readl1101(boolean ignore)
o readl1102 
  public void readl1102(boolean ignore)
o readl1110 
  public void readl1110(boolean ignore)
o readl9999 
  public void readl9999(boolean ignore)
o main 
  public static void main(String args[])
this is only run when an application.
o getDouble 
  public static double getDouble(String s)
gaussian uses D+dd and D-dd for real numbers so convert these to E+- 
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