test_class.declarator: builder
test_class.modifier: private static
test_class.original_string: private static IChemObjectBuilder builder;
test_class.type: IChemObjectBuilder
test_class.var_name: builder
test_class.file: tool/formula/src/test/java/org/openscience/cdk/formula/rules/MMElementRuleTest.java
test_class.identifier: MMElementRuleTest
test_class.superclass: extends FormulaRuleTest
test_case.body: @Test
      public void testDefaultValidFalse() throws Exception {
  
          IRule rule = new MMElementRule();
  
          IMolecularFormula formula = new MolecularFormula();
          formula.addIsotope(builder.newInstance(IIsotope.class, "C"), 2);
          formula.addIsotope(builder.newInstance(IIsotope.class, "H"), 200);
  
          Assert.assertEquals(0.0, rule.validate(formula), 0.0001);
      }
test_case.class_method_signature: MMElementRuleTest.testDefaultValidFalse()
test_case.full_signature: @Test public void testDefaultValidFalse()
test_case.identifier: testDefaultValidFalse
test_case.invocations: addIsotope newInstance addIsotope newInstance assertEquals validate
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testDefaultValidFalse()
focal_class.declarator: databaseUsed  = Database.WILEY
focal_class.modifier: private
focal_class.original_string: private Database                 databaseUsed  = Database.WILEY;
focal_class.type: Database
focal_class.var_name: databaseUsed
focal_class.declarator: rangeMassUsed = RangeMass.Minus500
focal_class.modifier: private
focal_class.original_string: private RangeMass                rangeMassUsed = RangeMass.Minus500;
focal_class.type: RangeMass
focal_class.var_name: rangeMassUsed
focal_class.declarator: hashMap
focal_class.modifier: private
focal_class.original_string: private HashMap<String, Integer> hashMap;
focal_class.type: HashMap<String, Integer>
focal_class.var_name: hashMap
focal_class.declarator: logger        = LoggingToolFactory.createLoggingTool(MMElementRule.class)
focal_class.modifier: private static
focal_class.original_string: private static ILoggingTool      logger        = LoggingToolFactory.createLoggingTool(MMElementRule.class);
focal_class.type: ILoggingTool
focal_class.var_name: logger
focal_class.file: tool/formula/src/main/java/org/openscience/cdk/formula/rules/MMElementRule.java
focal_class.identifier: MMElementRule
focal_class.interfaces: implements IRule
focal_class.class_method_signature: MMElementRule.MMElementRule()
focal_class.full_signature: public  MMElementRule()
focal_class.identifier: MMElementRule
focal_class.modifiers: public
focal_class.parameters: ()
focal_class.signature:  MMElementRule()
focal_class.class_method_signature: MMElementRule.setParameters(Object[] params)
focal_class.full_signature: @Override public void setParameters(Object[] params)
focal_class.identifier: setParameters
focal_class.modifiers: @Override public
focal_class.parameters: (Object[] params)
focal_class.return: void
focal_class.signature: void setParameters(Object[] params)
focal_class.class_method_signature: MMElementRule.getParameters()
focal_class.full_signature: @Override public Object[] getParameters()
focal_class.identifier: getParameters
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: Object[]
focal_class.signature: Object[] getParameters()
focal_class.class_method_signature: MMElementRule.validate(IMolecularFormula formula)
focal_class.full_signature: @Override public double validate(IMolecularFormula formula)
focal_class.identifier: validate
focal_class.modifiers: @Override public
focal_class.parameters: (IMolecularFormula formula)
focal_class.return: double
focal_class.signature: double validate(IMolecularFormula formula)
focal_class.class_method_signature: MMElementRule.getDNP_500()
focal_class.full_signature: private HashMap<String, Integer> getDNP_500()
focal_class.identifier: getDNP_500
focal_class.modifiers: private
focal_class.parameters: ()
focal_class.return: HashMap<String, Integer>
focal_class.signature: HashMap<String, Integer> getDNP_500()
focal_class.class_method_signature: MMElementRule.getDNP_1000()
focal_class.full_signature: private HashMap<String, Integer> getDNP_1000()
focal_class.identifier: getDNP_1000
focal_class.modifiers: private
focal_class.parameters: ()
focal_class.return: HashMap<String, Integer>
focal_class.signature: HashMap<String, Integer> getDNP_1000()
focal_class.class_method_signature: MMElementRule.getDNP_2000()
focal_class.full_signature: private HashMap<String, Integer> getDNP_2000()
focal_class.identifier: getDNP_2000
focal_class.modifiers: private
focal_class.parameters: ()
focal_class.return: HashMap<String, Integer>
focal_class.signature: HashMap<String, Integer> getDNP_2000()
focal_class.class_method_signature: MMElementRule.getDNP_3000()
focal_class.full_signature: private HashMap<String, Integer> getDNP_3000()
focal_class.identifier: getDNP_3000
focal_class.modifiers: private
focal_class.parameters: ()
focal_class.return: HashMap<String, Integer>
focal_class.signature: HashMap<String, Integer> getDNP_3000()
focal_class.class_method_signature: MMElementRule.getWisley_500()
focal_class.full_signature: private HashMap<String, Integer> getWisley_500()
focal_class.identifier: getWisley_500
focal_class.modifiers: private
focal_class.parameters: ()
focal_class.return: HashMap<String, Integer>
focal_class.signature: HashMap<String, Integer> getWisley_500()
focal_class.class_method_signature: MMElementRule.getWisley_1000()
focal_class.full_signature: private HashMap<String, Integer> getWisley_1000()
focal_class.identifier: getWisley_1000
focal_class.modifiers: private
focal_class.parameters: ()
focal_class.return: HashMap<String, Integer>
focal_class.signature: HashMap<String, Integer> getWisley_1000()
focal_class.class_method_signature: MMElementRule.getWisley_2000()
focal_class.full_signature: private HashMap<String, Integer> getWisley_2000()
focal_class.identifier: getWisley_2000
focal_class.modifiers: private
focal_class.parameters: ()
focal_class.return: HashMap<String, Integer>
focal_class.signature: HashMap<String, Integer> getWisley_2000()
focal_method.body: @Override
      public double validate(IMolecularFormula formula) throws CDKException {
          logger.info("Start validation of ", formula);
          double isValid = 1.0;
          Iterator<IElement> itElem = MolecularFormulaManipulator.elements(formula).iterator();
          while (itElem.hasNext()) {
              IElement element = itElem.next();
              int occur = MolecularFormulaManipulator.getElementCount(formula, element);
              if (occur > hashMap.get(element.getSymbol())) {
                  isValid = 0.0;
                  break;
              }
          }
  
          return isValid;
      }
focal_method.class_method_signature: MMElementRule.validate(IMolecularFormula formula)
focal_method.full_signature: @Override public double validate(IMolecularFormula formula)
focal_method.identifier: validate
focal_method.invocations: info iterator elements hasNext next getElementCount get getSymbol
focal_method.modifiers: @Override public
focal_method.parameters: (IMolecularFormula formula)
focal_method.return: double
focal_method.signature: double validate(IMolecularFormula formula)