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/RDBERuleTest.java
test_class.identifier: RDBERuleTest
test_class.superclass: extends FormulaRuleTest
test_case.body: @Test
      public void testDefaultValidTrue() throws ClassNotFoundException, CDKException, Exception {
  
          IRule rule = new RDBERule();
  
          IMolecularFormula formula = MolecularFormulaManipulator.getMajorIsotopeMolecularFormula("C1H4", builder);
          formula.setCharge(0);
  
          Assert.assertEquals(1.0, rule.validate(formula), 0.0001);
      }
test_case.class_method_signature: RDBERuleTest.testDefaultValidTrue()
test_case.full_signature: @Test public void testDefaultValidTrue()
test_case.identifier: testDefaultValidTrue
test_case.invocations: getMajorIsotopeMolecularFormula setCharge assertEquals validate
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testDefaultValidTrue()
focal_class.declarator: oxidationStateTable = null
focal_class.modifier: private static
focal_class.original_string: private static Map<String, int[]> oxidationStateTable = null;
focal_class.type: Map<String, int[]>
focal_class.var_name: oxidationStateTable
focal_class.declarator: logger              = LoggingToolFactory.createLoggingTool(RDBERule.class)
focal_class.modifier: private static
focal_class.original_string: private static ILoggingTool       logger              = LoggingToolFactory.createLoggingTool(RDBERule.class);
focal_class.type: ILoggingTool
focal_class.var_name: logger
focal_class.declarator: min                 = -0.5
focal_class.modifier: private
focal_class.original_string: private double                    min                 = -0.5;
focal_class.type: double
focal_class.var_name: min
focal_class.declarator: max                 = 30
focal_class.modifier: private
focal_class.original_string: private double                    max                 = 30;
focal_class.type: double
focal_class.var_name: max
focal_class.file: tool/formula/src/main/java/org/openscience/cdk/formula/rules/RDBERule.java
focal_class.identifier: RDBERule
focal_class.interfaces: implements IRule
focal_class.class_method_signature: RDBERule.RDBERule()
focal_class.full_signature: public  RDBERule()
focal_class.identifier: RDBERule
focal_class.modifiers: public
focal_class.parameters: ()
focal_class.signature:  RDBERule()
focal_class.class_method_signature: RDBERule.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: RDBERule.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: RDBERule.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: RDBERule.validate(IMolecularFormula formula, double value)
focal_class.full_signature: public boolean validate(IMolecularFormula formula, double value)
focal_class.identifier: validate
focal_class.modifiers: public
focal_class.parameters: (IMolecularFormula formula, double value)
focal_class.return: boolean
focal_class.signature: boolean validate(IMolecularFormula formula, double value)
focal_class.class_method_signature: RDBERule.getRDBEValue(IMolecularFormula formula)
focal_class.full_signature: public List<Double> getRDBEValue(IMolecularFormula formula)
focal_class.identifier: getRDBEValue
focal_class.modifiers: public
focal_class.parameters: (IMolecularFormula formula)
focal_class.return: List<Double>
focal_class.signature: List<Double> getRDBEValue(IMolecularFormula formula)
focal_class.class_method_signature: RDBERule.getOxidationState(IAtom newAtom)
focal_class.full_signature: private int[] getOxidationState(IAtom newAtom)
focal_class.identifier: getOxidationState
focal_class.modifiers: private
focal_class.parameters: (IAtom newAtom)
focal_class.return: int[]
focal_class.signature: int[] getOxidationState(IAtom newAtom)
focal_class.class_method_signature: RDBERule.createTable()
focal_class.full_signature: private void createTable()
focal_class.identifier: createTable
focal_class.modifiers: private
focal_class.parameters: ()
focal_class.return: void
focal_class.signature: void createTable()
focal_method.body: @Override
      public double validate(IMolecularFormula formula) throws CDKException {
          logger.info("Start validation of ", formula);
  
          List<Double> RDBEList = getRDBEValue(formula);
          for (Iterator<Double> it = RDBEList.iterator(); it.hasNext();) {
              double RDBE = it.next();
              if (min <= RDBE && RDBE <= 30) if (validate(formula, RDBE)) return 1.0;
          }
  
          return 0.0;
  
      }
focal_method.class_method_signature: RDBERule.validate(IMolecularFormula formula)
focal_method.full_signature: @Override public double validate(IMolecularFormula formula)
focal_method.identifier: validate
focal_method.invocations: info getRDBEValue iterator hasNext next validate
focal_method.modifiers: @Override public
focal_method.parameters: (IMolecularFormula formula)
focal_method.return: double
focal_method.signature: double validate(IMolecularFormula formula)