org.openscience.cdk.formula.rules

Class ToleranceRangeRule

java.lang.Object

org.openscience.cdk.formula.rules.ToleranceRangeRule

All Implemented Interfaces:

IRule

public class ToleranceRangeRule
extends Object
implements IRule

This class validate if the mass from an IMolecularFormula is between the tolerance range give a experimental mass. As default the mass to range is 0.0.

Table 1: Parameters set by this rule.

Name	Default	Description
mass	0.0	The Mass which the MolecularFormula has to be compared
tolerance	0.05	The range tolerance

Author:

miguelrojasch

Source code:

master

Belongs to CDK module:

formula

Created on:

2007-11-20

Constructor Summary

Constructors

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

Method Summary

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

Methods inherited from class java.lang.Object

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

Constructor Detail

ToleranceRangeRule

public ToleranceRangeRule()

Constructor for the ToleranceRangeRule object.

Method Detail

setParameters

public void setParameters(Object[] params)
                   throws CDKException

Sets the parameters attribute of the ToleranceRangeRule 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 ToleranceRangeRule 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 Tolerance Range 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