Class pmr.cml.CCDC 
All Packages  Class Hierarchy  This Package  Previous  Next  Index

Class pmr.cml.CCDC 

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.CMLObj
                                                                   |
                                                                   +----pmr.cml.CCDC
public class CCDC
extends CMLObj
class to read (? and write?) CCDC files. It relies on having 1, 2 or 3 of the following files: *.BIB, *.CON, *.DAT

NOTE: I do not guarantee the correctness of any code which interprets CCDC files.

Constructor Index

o CCDC(String)
read as many files of the form root.bib, root.con, root.dat as exist.

Method Index

o display()
displays the molecule automatically
o process()
o readBIB()
read the BIB entry
o readCON()
read the CON entry
o readDAT()
read the DAT entry.

Constructors

o CCDC 
  public CCDC(String fileroot) throws BadCCDCFileException
read as many files of the form root.bib, root.con, root.dat as exist. The case of the files determines the case of the root, i.e. apoacu.dat => "apoacu" and APOACU.COM => APOACU. No mixed case is allowed. Alternatively a filename can be used and the routine will search for the related files
Throws: BadCCDCFileException
any number of problems - hopefully reported in a string

Methods

o process 
  protected void process() throws BadCCDCFileException
o readBIB 
  public void readBIB()
read the BIB entry
o readCON 
  public void readCON() throws BadCCDCFileException
read the CON entry
Throws: BadCCDCFileException
this is either a corrupt CON file or not one at all
o readDAT 
  public void readDAT() throws BadCCDCFileException
read the DAT entry. MOST of the information is captured, but some Cambridge-specific stuff is not. It's not difficult to extend it.
Throws: BadCCDCFileException
This is either a corrupt DAT file, or I have misinterpreted the 'standard'
o display 
  public void display()
displays the molecule automatically
Overrides:
display in class CMLObj 
All Packages  Class Hierarchy  This Package  Previous  Next  Index