@TestClass(value="org.openscience.cdk.formula.MolecularFormulaCheckerTest") public class MolecularFormulaChecker extends Object
Validate a molecular formula given in IMolecularformula object. The validation is based according different rules that you have to introduce before see IRule.
IRule
Constructor and Description |
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MolecularFormulaChecker(List<IRule> rules)
Construct an instance of MolecularFormulaChecker.
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Modifier and Type | Method and Description |
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List<IRule> |
getRules()
Get the IRules to be applied to validate the IMolecularFormula.
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IMolecularFormula |
isValid(IMolecularFormula formula)
Validate if a IMolecularFormula is valid.
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Double |
isValidSum(IMolecularFormula formula)
Validate if a IMolecularFormula is valid.
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@TestMethod(value="testGetRules") public List<IRule> getRules()
@TestMethod(value="testIsValidSum_IMolecularFormula") public Double isValidSum(IMolecularFormula formula)
isValid(IMolecularFormula)
formula
- The IMolecularFormula valueisValid(IMolecularFormula)
@TestMethod(value="testIsValid_IMolecularFormula") public IMolecularFormula isValid(IMolecularFormula formula)
isValidSum(IMolecularFormula)
.formula
- The IMolecularFormula valueisValidSum(IMolecularFormula)