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:
- main
- Belongs to CDK module:
- formula
- Created on:
- 2007-11-20
-
Method Summary
Modifier and TypeMethodDescriptionObject[]
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 Details
-
setParameters
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
Object[] getParameters()Returns the current parameter values.- Returns:
- An array of Object containing the parameter values
- See Also:
-
validate
Analyze the validity for the given IMolecularFormula.- Parameters:
formula
- AnIMolecularFormula
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
-