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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