Class IsotopePatternRule

java.lang.Object
org.openscience.cdk.formula.rules.IsotopePatternRule
All Implemented Interfaces:
IRule

public class IsotopePatternRule extends Object implements IRule
This class validate if the Isotope Pattern from a given IMolecularFormula correspond with other to compare.
Table 1: Parameters set by this rule.
Name Default Description
isotopePattern
List <Double[]>
The Isotope Pattern to compare
Author:
Miguel Rojas Cherto
Source code:
main
Belongs to CDK module:
formula
Created on:
2007-11-20
  • Constructor Details

    • IsotopePatternRule

      public IsotopePatternRule()
      Constructor for the IsotopePatternRule object.
  • Method Details

    • setParameters

      public void setParameters(Object[] params) throws CDKException
      Sets the parameters attribute of the IsotopePatternRule 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 IsotopePatternRule object.
      Specified by:
      getParameters in interface IRule
      Returns:
      The parameters value
      See Also:
    • validate

      public double validate(IMolecularFormula formula) throws CDKException
      Validate the isotope pattern of this IMolecularFormula. Important, first you have to add with the setParameters(Object[]) a IMolecularFormulaSet which represents the isotope pattern to compare.
      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