test_class.declarator: builder = SilentChemObjectBuilder
              .getInstance()
test_class.modifier: private final
test_class.original_string: private final IChemObjectBuilder builder = SilentChemObjectBuilder
              .getInstance();
test_class.type: IChemObjectBuilder
test_class.var_name: builder
test_class.file: tool/formula/src/test/java/org/openscience/cdk/formula/MolecularFormulaGeneratorTest.java
test_class.identifier: MolecularFormulaGeneratorTest
test_class.superclass: extends CDKTestCase
test_case.body: @Test
      public void testFormulaFoundInRange() throws Exception {
          IsotopeFactory ifac = Isotopes.getInstance();
          IIsotope c = ifac.getMajorIsotope("C");
          IIsotope h = ifac.getMajorIsotope("H");
          IIsotope n = ifac.getMajorIsotope("N");
          IIsotope o = ifac.getMajorIsotope("O");
  
          MolecularFormulaRange mfRange = new MolecularFormulaRange();
          mfRange.addIsotope(c, 1, 50);
          mfRange.addIsotope(h, 1, 100);
          mfRange.addIsotope(o, 1, 50);
          mfRange.addIsotope(n, 1, 50);
  
          double minMass = 137.0;
          double maxMass = 137.2;
  
          MolecularFormulaGenerator gen = new MolecularFormulaGenerator(builder,
                  minMass, maxMass, mfRange);
          IMolecularFormulaSet mfSet = gen.getAllFormulas();
  
          Assert.assertEquals(48, mfSet.size());
          boolean found = false;
          for (IMolecularFormula formula : mfSet.molecularFormulas()) {
              String mf = MolecularFormulaManipulator.getString(formula);
              if (mf.equals("C4H11NO4")) {
                  found = true;
                  break;
              }
          }
          Assert.assertTrue("The molecular formula C4H11NO4 should be found",
                  found);
      }
test_case.class_method_signature: MolecularFormulaGeneratorTest.testFormulaFoundInRange()
test_case.full_signature: @Test public void testFormulaFoundInRange()
test_case.identifier: testFormulaFoundInRange
test_case.invocations: getInstance getMajorIsotope getMajorIsotope getMajorIsotope getMajorIsotope addIsotope addIsotope addIsotope addIsotope getAllFormulas assertEquals size molecularFormulas getString equals assertTrue
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testFormulaFoundInRange()
focal_class.declarator: formulaGenerator
focal_class.modifier: protected final
focal_class.original_string: protected final IFormulaGenerator formulaGenerator;
focal_class.type: IFormulaGenerator
focal_class.var_name: formulaGenerator
focal_class.file: tool/formula/src/main/java/org/openscience/cdk/formula/MolecularFormulaGenerator.java
focal_class.identifier: MolecularFormulaGenerator
focal_class.interfaces: implements IFormulaGenerator
focal_class.class_method_signature: MolecularFormulaGenerator.MolecularFormulaGenerator(final IChemObjectBuilder builder,
                                       final double minMass, final double maxMass,
                                       final MolecularFormulaRange mfRange)
focal_class.full_signature: public  MolecularFormulaGenerator(final IChemObjectBuilder builder,
                                       final double minMass, final double maxMass,
                                       final MolecularFormulaRange mfRange)
focal_class.identifier: MolecularFormulaGenerator
focal_class.modifiers: public
focal_class.parameters: (final IChemObjectBuilder builder,
                                       final double minMass, final double maxMass,
                                       final MolecularFormulaRange mfRange)
focal_class.signature:  MolecularFormulaGenerator(final IChemObjectBuilder builder,
                                       final double minMass, final double maxMass,
                                       final MolecularFormulaRange mfRange)
focal_class.class_method_signature: MolecularFormulaGenerator.isIllPosed(double minMass, double maxMass, MolecularFormulaRange mfRange)
focal_class.full_signature: private static boolean isIllPosed(double minMass, double maxMass, MolecularFormulaRange mfRange)
focal_class.identifier: isIllPosed
focal_class.modifiers: private static
focal_class.parameters: (double minMass, double maxMass, MolecularFormulaRange mfRange)
focal_class.return: boolean
focal_class.signature: boolean isIllPosed(double minMass, double maxMass, MolecularFormulaRange mfRange)
focal_class.class_method_signature: MolecularFormulaGenerator.getNextFormula()
focal_class.full_signature: @Override public IMolecularFormula getNextFormula()
focal_class.identifier: getNextFormula
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: IMolecularFormula
focal_class.signature: IMolecularFormula getNextFormula()
focal_class.class_method_signature: MolecularFormulaGenerator.getAllFormulas()
focal_class.full_signature: @Override public IMolecularFormulaSet getAllFormulas()
focal_class.identifier: getAllFormulas
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: IMolecularFormulaSet
focal_class.signature: IMolecularFormulaSet getAllFormulas()
focal_class.class_method_signature: MolecularFormulaGenerator.getFinishedPercentage()
focal_class.full_signature: @Override public double getFinishedPercentage()
focal_class.identifier: getFinishedPercentage
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: double
focal_class.signature: double getFinishedPercentage()
focal_class.class_method_signature: MolecularFormulaGenerator.cancel()
focal_class.full_signature: @Override public void cancel()
focal_class.identifier: cancel
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: void
focal_class.signature: void cancel()
focal_class.class_method_signature: MolecularFormulaGenerator.checkInputParameters(final IChemObjectBuilder builder,
                                          final double minMass, final double maxMass,
                                          final MolecularFormulaRange mfRange)
focal_class.full_signature: protected void checkInputParameters(final IChemObjectBuilder builder,
                                          final double minMass, final double maxMass,
                                          final MolecularFormulaRange mfRange)
focal_class.identifier: checkInputParameters
focal_class.modifiers: protected
focal_class.parameters: (final IChemObjectBuilder builder,
                                          final double minMass, final double maxMass,
                                          final MolecularFormulaRange mfRange)
focal_class.return: void
focal_class.signature: void checkInputParameters(final IChemObjectBuilder builder,
                                          final double minMass, final double maxMass,
                                          final MolecularFormulaRange mfRange)
focal_method.body: @Override
      public IMolecularFormulaSet getAllFormulas() {
          return formulaGenerator.getAllFormulas();
      }
focal_method.class_method_signature: MolecularFormulaGenerator.getAllFormulas()
focal_method.full_signature: @Override public IMolecularFormulaSet getAllFormulas()
focal_method.identifier: getAllFormulas
focal_method.invocations: getAllFormulas
focal_method.modifiers: @Override public
focal_method.parameters: ()
focal_method.return: IMolecularFormulaSet
focal_method.signature: IMolecularFormulaSet getAllFormulas()