cct.amber
Class AmberLib

java.lang.Object
  extended by cct.amber.AmberLib

public class AmberLib
extends java.lang.Object


Field Summary
(package private)  MoleculeInterface refMolec
           
 
Constructor Summary
AmberLib(MoleculeInterface ref)
           
 
Method Summary
 int countMolecules()
           
 MoleculeInterface getMolecule(java.lang.String name)
           
 java.lang.String[] getMoleculeNames()
           
 java.util.LinkedHashMap<java.lang.String,MoleculeInterface> getMolecules()
           
 void parseLibFile(java.lang.String filename, int fileType)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

refMolec

MoleculeInterface refMolec
Constructor Detail

AmberLib

public AmberLib(MoleculeInterface ref)
Method Detail

countMolecules

public int countMolecules()

getMolecules

public java.util.LinkedHashMap<java.lang.String,MoleculeInterface> getMolecules()

getMoleculeNames

public java.lang.String[] getMoleculeNames()

getMolecule

public MoleculeInterface getMolecule(java.lang.String name)

parseLibFile

public void parseLibFile(java.lang.String filename,
                         int fileType)
                  throws java.lang.Exception
Throws:
java.lang.Exception