org.openscience.cdk.formula.rules

Class ChargeRule

java.lang.Object

org.openscience.cdk.formula.rules.ChargeRule

All Implemented Interfaces:

IRule

public class ChargeRule
extends Object
implements IRule

This class validate if the charge in the IMolecularFormula correspond with a specific value. As default it is defined as neutral == 0.0.

Table 1: Parameters set by this rule.

Name	Default	Description
charge	0.0	The Charge of MolecularFormula

Author:

miguelrojasch

Source code:

master

Belongs to CDK module:

formula

Created on:

2007-11-20

Constructor Summary

Constructors

Constructor and Description
ChargeRule() Constructor for the ChargeRule object.

Method Summary

Modifier and Type	Method and Description
Object[]	getParameters() Gets the parameters attribute of the ChargeRule object.
void	setParameters(Object[] params) Sets the parameters attribute of the ChargeRule object.
double	validate(IMolecularFormula formula) Validate the charge of this IMolecularFormula.

Methods inherited from class java.lang.Object

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

Constructor Detail

ChargeRule

public ChargeRule()

Constructor for the ChargeRule object.

Method Detail

setParameters

public void setParameters(Object[] params)
                   throws CDKException

Sets the parameters attribute of the ChargeRule object.

Specified by:

setParameters in interface IRule

Parameters:

params - The new parameters value

Throws:

CDKException - Description of the Exception

See Also:

getParameters()

getParameters

public Object[] getParameters()

Gets the parameters attribute of the ChargeRule object.

Specified by:

getParameters in interface IRule

Returns:

The parameters value

See Also:

setParameters(java.lang.Object[])

validate

public double validate(IMolecularFormula formula)
                throws CDKException

Validate the charge of this IMolecularFormula.

Specified by:

validate in interface IRule

Parameters:

formula - Parameter is the IMolecularFormula

Returns:

A double value meaning 1.0 True, 0.0 False

Throws:

CDKException - if an error occurs during the validation. See documentation for individual rules