cct.mdl
Class SDF

java.lang.Object
  extended by cct.mdl.SDF

public class SDF
extends java.lang.Object

Title: Computational Chemistry Tookit

Description:

Copyright: Copyright (c) 2005-2007 Dr. Vladislav Vassiliev

Company: ANU


Field Summary
(package private)  java.util.ArrayList<SDCompound> Compounds
           
(package private)  java.io.RandomAccessFile sdFile
           
 
Constructor Summary
SDF()
           
 
Method Summary
static void main(java.lang.String[] args)
           
 void parseSDFile(java.lang.String file_name, MoleculeInterface molec)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

sdFile

java.io.RandomAccessFile sdFile

Compounds

java.util.ArrayList<SDCompound> Compounds
Constructor Detail

SDF

public SDF()
Method Detail

parseSDFile

public void parseSDFile(java.lang.String file_name,
                        MoleculeInterface molec)
                 throws java.lang.Exception
Throws:
java.lang.Exception

main

public static void main(java.lang.String[] args)