org.openscience.cdk.formula.rules

Interface IRule

All Known Implementing Classes:

ChargeRule, ElementRule, IsotopePatternRule, MMElementRule, NitrogenRule, RDBERule, ToleranceRangeRule

public interface IRule

Interface which groups all method that validate a IMolecularFormula.

Author:

miguelrojasch

Source code:

master

Belongs to CDK module:

formula

Created on:

2007-11-20

Method Summary

Modifier and Type	Method and Description
Object[]	getParameters() Returns the current parameter values.
void	setParameters(Object[] params) Sets the parameters for this rule.
double	validate(IMolecularFormula formula) Analyze the validity for the given IMolecularFormula.

Method Detail

setParameters

void setParameters(Object[] params)
            throws CDKException

Sets the parameters for this rule. Must be done before calling calculate as the parameters influence the validation outcome.

Parameters:

params - An array of Object containing the parameters for this rule

Throws:

CDKException - if invalid number of type of parameters are passed to it

See Also:

getParameters()

getParameters

Object[] getParameters()

Returns the current parameter values.

Returns:

An array of Object containing the parameter values

See Also:

setParameters(java.lang.Object[])

validate

double validate(IMolecularFormula formula)
         throws CDKException

Analyze the validity for the given IMolecularFormula.

Parameters:

formula - An IMolecularFormula for which this rule should be analyzed

Returns:

A double value between 0 and 1. 1 meaning 100% valid and 0 not valid

Throws:

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