test_class.declarator: table = new SmilesValue[] {
              new SmilesValue("[H][H]", 0),
              new SmilesValue("O", 0),
              new SmilesValue("C1=CC=CC=C1", 0),
              new SmilesValue("C1=CN=CC=C1", 0),
              new SmilesValue("CC1=CC=CC(C)=N1", 0.29),
              new SmilesValue("CC1CCCC(C)N1", 1),
              new SmilesValue("CC1=NC(NC(NC2CN(C3=CC=CC(F)=C3)C(C2)=O)=O)=CC=C1", 0.24),
      }
test_class.modifier: private static final
test_class.original_string: private static final SmilesValue[] table = new SmilesValue[] {
              new SmilesValue("[H][H]", 0),
              new SmilesValue("O", 0),
              new SmilesValue("C1=CC=CC=C1", 0),
              new SmilesValue("C1=CN=CC=C1", 0),
              new SmilesValue("CC1=CC=CC(C)=N1", 0.29),
              new SmilesValue("CC1CCCC(C)N1", 1),
              new SmilesValue("CC1=NC(NC(NC2CN(C3=CC=CC(F)=C3)C(C2)=O)=O)=CC=C1", 0.24),
      };
test_class.type: SmilesValue[]
test_class.var_name: table
test_class.file: descriptor/qsarmolecular/src/test/java/org/openscience/cdk/qsar/descriptors/molecular/FractionalCSP3DescriptorTest.java
test_class.identifier: FractionalCSP3DescriptorTest
test_class.superclass: extends MolecularDescriptorTest
test_case.body: @Test
      public void testFractionalCSP3Descriptor() throws CDKException {
          SmilesParser sp = new SmilesParser(SilentChemObjectBuilder.getInstance());
          for (SmilesValue e: table) {
              IAtomContainer mol = sp.parseSmiles(e.smiles);
              DoubleResult result = (DoubleResult)descriptor.calculate(mol).getValue();
              Assert.assertEquals(e.value, result.doubleValue(), 0.01);
          }
      }
test_case.class_method_signature: FractionalCSP3DescriptorTest.testFractionalCSP3Descriptor()
test_case.full_signature: @Test public void testFractionalCSP3Descriptor()
test_case.identifier: testFractionalCSP3Descriptor
test_case.invocations: getInstance parseSmiles getValue calculate assertEquals doubleValue
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testFractionalCSP3Descriptor()
focal_class.file: descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/FractionalCSP3Descriptor.java
focal_class.identifier: FractionalCSP3Descriptor
focal_class.interfaces: implements IMolecularDescriptor
focal_class.class_method_signature: FractionalCSP3Descriptor.FractionalCSP3Descriptor()
focal_class.full_signature: public  FractionalCSP3Descriptor()
focal_class.identifier: FractionalCSP3Descriptor
focal_class.modifiers: public
focal_class.parameters: ()
focal_class.signature:  FractionalCSP3Descriptor()
focal_class.class_method_signature: FractionalCSP3Descriptor.getSpecification()
focal_class.full_signature: @Override public DescriptorSpecification getSpecification()
focal_class.identifier: getSpecification
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: DescriptorSpecification
focal_class.signature: DescriptorSpecification getSpecification()
focal_class.class_method_signature: FractionalCSP3Descriptor.getParameterNames()
focal_class.full_signature: @Override public String[] getParameterNames()
focal_class.identifier: getParameterNames
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: String[]
focal_class.signature: String[] getParameterNames()
focal_class.class_method_signature: FractionalCSP3Descriptor.getParameterType(String name)
focal_class.full_signature: @Override public Object getParameterType(String name)
focal_class.identifier: getParameterType
focal_class.modifiers: @Override public
focal_class.parameters: (String name)
focal_class.return: Object
focal_class.signature: Object getParameterType(String name)
focal_class.class_method_signature: FractionalCSP3Descriptor.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: FractionalCSP3Descriptor.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: FractionalCSP3Descriptor.calculate(IAtomContainer mol)
focal_class.full_signature: @Override public DescriptorValue calculate(IAtomContainer mol)
focal_class.identifier: calculate
focal_class.modifiers: @Override public
focal_class.parameters: (IAtomContainer mol)
focal_class.return: DescriptorValue
focal_class.signature: DescriptorValue calculate(IAtomContainer mol)
focal_class.class_method_signature: FractionalCSP3Descriptor.getDescriptorResultType()
focal_class.full_signature: @Override public IDescriptorResult getDescriptorResultType()
focal_class.identifier: getDescriptorResultType
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: IDescriptorResult
focal_class.signature: IDescriptorResult getDescriptorResultType()
focal_class.class_method_signature: FractionalCSP3Descriptor.getDescriptorNames()
focal_class.full_signature: @Override public String[] getDescriptorNames()
focal_class.identifier: getDescriptorNames
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: String[]
focal_class.signature: String[] getDescriptorNames()
focal_class.superclass: extends AbstractMolecularDescriptor
focal_method.body: public FractionalCSP3Descriptor() { }
focal_method.class_method_signature: FractionalCSP3Descriptor.FractionalCSP3Descriptor()
focal_method.full_signature: public  FractionalCSP3Descriptor()
focal_method.identifier: FractionalCSP3Descriptor
focal_method.modifiers: public
focal_method.parameters: ()
focal_method.signature:  FractionalCSP3Descriptor()