org.openscience.cdk.config

Class XMLIsotopeFactory

java.lang.Object

org.openscience.cdk.config.IsotopeFactory

org.openscience.cdk.config.XMLIsotopeFactory

public class XMLIsotopeFactory
extends IsotopeFactory

Used to store and return data of a particular isotope. As this class is a singleton class, one gets an instance with:

 IsotopeFactory ifac = IsotopFactory.getInstance(new IChemObject().getNewBuilder());
 

Data about the isotopes are read from the file org.openscience.cdk.config.isotopes.xml in the cdk-standard module. Part of the data in this file was collected from the website webelements.org.

The use of this class is exemplified as follows. To get information about the major isotope of hydrogen, one can use this code:

   IsotopeFactory factory = XMLIsotopeFactory.getInstance(DefaultChemObjectBuilder.getInstance());
   Isotope major = factory.getMajorIsotope("H");
 

Author:

steinbeck

Source code:

master

Belongs to CDK module:

extra

Keywords:

isotope, element

Created on:

2001-08-29

Field Summary

Fields inherited from class org.openscience.cdk.config.IsotopeFactory

EMPTY_ISOTOPE_ARRAY, logger

Method Summary

Modifier and Type	Method and Description
static XMLIsotopeFactory	getInstance(IChemObjectBuilder builder) Returns an IsotopeFactory instance.

Methods inherited from class org.openscience.cdk.config.IsotopeFactory

add, configure, configure, configureAtoms, getElement, getElement, getElementSymbol, getExactMass, getIsotope, getIsotope, getIsotopes, getIsotopes, getIsotopes, getIsotopes, getMajorIsotope, getMajorIsotope, getMajorIsotopeMass, getNaturalMass, getNaturalMass, getSize, isElement

Methods inherited from class java.lang.Object

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

Method Detail

getInstance

public static XMLIsotopeFactory getInstance(IChemObjectBuilder builder)
                                     throws IOException

Returns an IsotopeFactory instance.

Parameters:

builder - ChemObjectBuilder used to construct the Isotope's

Returns:

The instance value

Throws:

IOException - if isotopic data files could not be read.