Class IsotopePatternRule
java.lang.Object
org.openscience.cdk.formula.rules.IsotopePatternRule
- All Implemented Interfaces:
IRule
This class validate if the Isotope Pattern from a given IMolecularFormula
correspond with other to compare.
Name | Default | Description |
isotopePattern |
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The Isotope Pattern to compare |
- Author:
- Miguel Rojas Cherto
- Source code:
- main
- Belongs to CDK module:
- formula
- Created on:
- 2007-11-20
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionObject[]
Gets the parameters attribute of the IsotopePatternRule object.void
setParameters
(Object[] params) Sets the parameters attribute of the IsotopePatternRule object.double
validate
(IMolecularFormula formula) Validate the isotope pattern of this IMolecularFormula.
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Constructor Details
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IsotopePatternRule
public IsotopePatternRule()Constructor for the IsotopePatternRule object.
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Method Details
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setParameters
Sets the parameters attribute of the IsotopePatternRule object.- Specified by:
setParameters
in interfaceIRule
- Parameters:
params
- The new parameters value- Throws:
CDKException
- Description of the Exception- See Also:
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getParameters
Gets the parameters attribute of the IsotopePatternRule object.- Specified by:
getParameters
in interfaceIRule
- Returns:
- The parameters value
- See Also:
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validate
Validate the isotope pattern of this IMolecularFormula. Important, first you have to add with thesetParameters(Object[])
a IMolecularFormulaSet which represents the isotope pattern to compare.- Specified by:
validate
in interfaceIRule
- 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
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