Package 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:
main
Belongs to CDK module:
formula
Created on:
2007-11-20

  • Constructor Details

    • ChargeRule

      public ChargeRule()
      Constructor for the ChargeRule object.

  • Method Details

    • 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

      public Object[] getParameters()
      Gets the parameters attribute of the ChargeRule object.
      Specified by:
      getParameters in interface IRule
      Returns:
      The parameters value
      See Also:

    • 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