test_class.file: descriptor/qsarmolecular/src/test/java/org/openscience/cdk/qsar/descriptors/molecular/BPolDescriptorTest.java
test_class.identifier: BPolDescriptorTest
test_class.superclass: extends MolecularDescriptorTest
test_case.body: @Test
      public void testBPolDescriptor() throws ClassNotFoundException, CDKException, java.lang.Exception {
          SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
          IAtomContainer mol = sp.parseSmiles("O=C(O)CC");
          addExplicitHydrogens(mol);
          Assert.assertEquals(7.517242, ((DoubleResult) descriptor.calculate(mol).getValue()).doubleValue(), 0.01);
      }
test_case.class_method_signature: BPolDescriptorTest.testBPolDescriptor()
test_case.full_signature: @Test public void testBPolDescriptor()
test_case.identifier: testBPolDescriptor
test_case.invocations: getInstance parseSmiles addExplicitHydrogens assertEquals doubleValue getValue calculate
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testBPolDescriptor()
focal_class.declarator: logger = LoggingToolFactory.createLoggingTool(BPolDescriptor.class)
focal_class.modifier: private static
focal_class.original_string: private static ILoggingTool   logger = LoggingToolFactory.createLoggingTool(BPolDescriptor.class);
focal_class.type: ILoggingTool
focal_class.var_name: logger
focal_class.declarator: polarizabilities
focal_class.modifier: private static
focal_class.original_string: private static double[]       polarizabilities;
focal_class.type: double[]
focal_class.var_name: polarizabilities
focal_class.declarator: NAMES  = {"bpol"}
focal_class.modifier: private static final
focal_class.original_string: private static final String[] NAMES  = {"bpol"};
focal_class.type: String[]
focal_class.var_name: NAMES
focal_class.file: descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/BPolDescriptor.java
focal_class.identifier: BPolDescriptor
focal_class.interfaces: implements IMolecularDescriptor
focal_class.class_method_signature: BPolDescriptor.BPolDescriptor()
focal_class.full_signature: public  BPolDescriptor()
focal_class.identifier: BPolDescriptor
focal_class.modifiers: public
focal_class.parameters: ()
focal_class.signature:  BPolDescriptor()
focal_class.class_method_signature: BPolDescriptor.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: BPolDescriptor.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: BPolDescriptor.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: BPolDescriptor.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.class_method_signature: BPolDescriptor.calculate(IAtomContainer container)
focal_class.full_signature: @Override public DescriptorValue calculate(IAtomContainer container)
focal_class.identifier: calculate
focal_class.modifiers: @Override public
focal_class.parameters: (IAtomContainer container)
focal_class.return: DescriptorValue
focal_class.signature: DescriptorValue calculate(IAtomContainer container)
focal_class.class_method_signature: BPolDescriptor.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: BPolDescriptor.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: BPolDescriptor.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.superclass: extends AbstractMolecularDescriptor
focal_method.body: public BPolDescriptor() {
          // atomic polarizabilities ordered by atomic number from 1 to 102
          if (polarizabilities == null) {
              polarizabilities = new double[]{0, 0.666793, 0.204956, 24.3, 5.6, 3.03, 1.76, 1.1, 0.802, 0.557, 0.3956,
                      23.6, 10.6, 6.8, 5.38, 3.63, 2.9, 2.18, 1.6411, 43.4, 22.8, 17.8, 14.6, 12.4, 11.6, 9.4, 8.4, 7.5,
                      6.8, 6.1, 7.1, 8.12, 6.07, 4.31, 3.77, 3.05, 2.4844, 47.3, 27.6, 22.7, 17.9, 15.7, 12.8, 11.4, 9.6,
                      8.6, 4.8, 7.2, 7.2, 10.2, 7.7, 6.6, 5.5, 5.35, 4.044, 59.6, 39.7, 31.1, 29.6, 28.2, 31.4, 30.1,
                      28.8, 27.7, 23.5, 25.5, 24.5, 23.6, 22.7, 21.8, 21, 21.9, 16.2, 13.1, 11.1, 9.7, 8.5, 7.6, 6.5,
                      5.8, 5.7, 7.6, 6.8, 7.4, 6.8, 6, 5.3, 48.7, 38.3, 32.1, 32.1, 25.4, 27.4, 24.8, 24.5, 23.3, 23,
                      22.7, 20.5, 19.7, 23.8, 18.2, 17.5};
          }
      }
focal_method.class_method_signature: BPolDescriptor.BPolDescriptor()
focal_method.full_signature: public  BPolDescriptor()
focal_method.identifier: BPolDescriptor
focal_method.modifiers: public
focal_method.parameters: ()
focal_method.signature:  BPolDescriptor()