org.openscience.cdk.formula.rules

Class ElementRule

java.lang.Object

org.openscience.cdk.formula.rules.ElementRule

All Implemented Interfaces:

IRule

public class ElementRule
extends Object
implements IRule

This class validate if the occurrence of the IElements in the IMolecularFormula are into a limits. As default defines all elements of the periodic table with a occurrence of zero to 100.

Table 1: Parameters set by this rule.

Name	Default	Description
elements	C,H,N,O	The IELements to be analyzed

Author:

miguelrojasch

Source code:

master

Belongs to CDK module:

formula

Created on:

2007-11-20

Constructor Summary

Constructors

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

Method Summary

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

Methods inherited from class java.lang.Object

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

Constructor Detail

ElementRule

public ElementRule()

Constructor for the ElementRule object.

Method Detail

setParameters

public void setParameters(Object[] params)
                   throws CDKException

Sets the parameters attribute of the ElementRule 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 ElementRule 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 occurrence of this IMolecularFormula.

Specified by:

validate in interface IRule

Parameters:

formula - Parameter is the IMolecularFormula

Returns:

An ArrayList containing 9 elements in the order described above

Throws:

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