org.jscience.chemistry.quantum.basis
Class BasisReader

java.lang.Object
  org.jscience.chemistry.quantum.basis.BasisReader

public class BasisReader
extends java.lang.Object

This class provides the means to read a basis set stored in XML format and convert it into appropriate datastructure representation.

Follows a singleton pattern.

Method Summary

static BasisReader	getInstance() Get an instance (and the only one) of BasisReader
BasisSet	readBasis(java.lang.String basisName) Read a particular basis for the basis library (XML)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Method Detail

getInstance

public static BasisReader getInstance()

Get an instance (and the only one) of BasisReader

Returns:

BasisReader instance

readBasis

public BasisSet readBasis(java.lang.String basisName)
                   throws java.lang.Exception

Read a particular basis for the basis library (XML)

Parameters:

basisName - the name of basis

Returns:

BasisSet object, representing the requested basis set

Throws:

java.lang.Exception