test_class.file: descriptor/qsaratomic/src/test/java/org/openscience/cdk/qsar/descriptors/atomic/VdWRadiusDescriptorTest.java
test_class.identifier: VdWRadiusDescriptorTest
test_class.superclass: extends AtomicDescriptorTest
test_case.body: @Test
      public void testVdWRadiusDescriptor() throws ClassNotFoundException, CDKException, java.lang.Exception {
          double[] testResult = {1.7};
          IAtomicDescriptor descriptor = new VdWRadiusDescriptor();
          SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
          IAtomContainer mol = sp.parseSmiles("NCCN(C)(C)");
          double retval = ((DoubleResult) descriptor.calculate(mol.getAtom(1), mol).getValue()).doubleValue();
  
          Assert.assertEquals(testResult[0], retval, 0.01);
      }
test_case.class_method_signature: VdWRadiusDescriptorTest.testVdWRadiusDescriptor()
test_case.full_signature: @Test public void testVdWRadiusDescriptor()
test_case.identifier: testVdWRadiusDescriptor
test_case.invocations: getInstance parseSmiles doubleValue getValue calculate getAtom assertEquals
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testVdWRadiusDescriptor()
focal_class.declarator: NAMES = {"vdwRadius"}
focal_class.modifier: private static final
focal_class.original_string: private static final String[] NAMES = {"vdwRadius"};
focal_class.type: String[]
focal_class.var_name: NAMES
focal_class.file: descriptor/qsaratomic/src/main/java/org/openscience/cdk/qsar/descriptors/atomic/VdWRadiusDescriptor.java
focal_class.identifier: VdWRadiusDescriptor
focal_class.interfaces: implements IAtomicDescriptor
focal_class.class_method_signature: VdWRadiusDescriptor.VdWRadiusDescriptor()
focal_class.full_signature: public  VdWRadiusDescriptor()
focal_class.identifier: VdWRadiusDescriptor
focal_class.modifiers: public
focal_class.parameters: ()
focal_class.signature:  VdWRadiusDescriptor()
focal_class.class_method_signature: VdWRadiusDescriptor.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: VdWRadiusDescriptor.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: VdWRadiusDescriptor.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: VdWRadiusDescriptor.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: VdWRadiusDescriptor.calculate(IAtom atom, IAtomContainer container)
focal_class.full_signature: @Override public DescriptorValue calculate(IAtom atom, IAtomContainer container)
focal_class.identifier: calculate
focal_class.modifiers: @Override public
focal_class.parameters: (IAtom atom, IAtomContainer container)
focal_class.return: DescriptorValue
focal_class.signature: DescriptorValue calculate(IAtom atom, IAtomContainer container)
focal_class.class_method_signature: VdWRadiusDescriptor.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: VdWRadiusDescriptor.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 AbstractAtomicDescriptor
focal_method.body: public VdWRadiusDescriptor() throws IOException, ClassNotFoundException {}
focal_method.class_method_signature: VdWRadiusDescriptor.VdWRadiusDescriptor()
focal_method.full_signature: public  VdWRadiusDescriptor()
focal_method.identifier: VdWRadiusDescriptor
focal_method.modifiers: public
focal_method.parameters: ()
focal_method.signature:  VdWRadiusDescriptor()