Package 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
Created on:
2007-11-20

  • Constructor Details

    • ToleranceRangeRule

      public ToleranceRangeRule()
      Constructor for the ToleranceRangeRule object.

  • Method Details

    • 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

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

    • 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