test_class.file: descriptor/qsaratomic/src/test/java/org/openscience/cdk/qsar/descriptors/atomic/DistanceToAtomDescriptorTest.java
test_class.identifier: DistanceToAtomDescriptorTest
test_class.superclass: extends AtomicDescriptorTest
test_case.body: @Test
      public void testDistanceToAtomDescriptor() throws ClassNotFoundException, CDKException, java.lang.Exception {
          IAtomicDescriptor descriptor = new DistanceToAtomDescriptor();
          Object[] params = {Integer.valueOf(2)};
          descriptor.setParameters(params);
  
          IAtomContainer mol = new AtomContainer();
          Atom a0 = new Atom("C");
          mol.addAtom(a0);
          a0.setPoint3d(new Point3d(1.2492, -0.2810, 0.0000));
          Atom a1 = new Atom("C");
          mol.addAtom(a1);
          a1.setPoint3d(new Point3d(0.0000, 0.6024, -0.0000));
          Atom a2 = new Atom("C");
          mol.addAtom(a2);
          a2.setPoint3d(new Point3d(-1.2492, -0.2810, 0.0000));
          mol.addBond(0, 1, IBond.Order.SINGLE); // 1
          mol.addBond(1, 2, IBond.Order.SINGLE); // 2
          // mol.addBond(2, 3, IBond.Order.SINGLE); // 3 // jwmay: there is no atom at index 3
  
          Assert.assertEquals(2.46, ((DoubleResult) descriptor.calculate(mol.getAtom(0), mol).getValue()).doubleValue(),
                  0.1);
      }
test_case.class_method_signature: DistanceToAtomDescriptorTest.testDistanceToAtomDescriptor()
test_case.full_signature: @Test public void testDistanceToAtomDescriptor()
test_case.identifier: testDistanceToAtomDescriptor
test_case.invocations: valueOf setParameters addAtom setPoint3d addAtom setPoint3d addAtom setPoint3d addBond addBond assertEquals doubleValue getValue calculate getAtom
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testDistanceToAtomDescriptor()
focal_class.declarator: focusPosition = 0
focal_class.modifier: private
focal_class.original_string: private int focusPosition = 0;
focal_class.type: int
focal_class.var_name: focusPosition
focal_class.file: descriptor/qsaratomic/src/main/java/org/openscience/cdk/qsar/descriptors/atomic/DistanceToAtomDescriptor.java
focal_class.identifier: DistanceToAtomDescriptor
focal_class.interfaces: implements IAtomicDescriptor
focal_class.class_method_signature: DistanceToAtomDescriptor.DistanceToAtomDescriptor()
focal_class.full_signature: public  DistanceToAtomDescriptor()
focal_class.identifier: DistanceToAtomDescriptor
focal_class.modifiers: public
focal_class.parameters: ()
focal_class.signature:  DistanceToAtomDescriptor()
focal_class.class_method_signature: DistanceToAtomDescriptor.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: DistanceToAtomDescriptor.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: DistanceToAtomDescriptor.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: DistanceToAtomDescriptor.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: DistanceToAtomDescriptor.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: DistanceToAtomDescriptor.calculateDistanceBetweenTwoAtoms(IAtom atom1, IAtom atom2)
focal_class.full_signature: private double calculateDistanceBetweenTwoAtoms(IAtom atom1, IAtom atom2)
focal_class.identifier: calculateDistanceBetweenTwoAtoms
focal_class.modifiers: private
focal_class.parameters: (IAtom atom1, IAtom atom2)
focal_class.return: double
focal_class.signature: double calculateDistanceBetweenTwoAtoms(IAtom atom1, IAtom atom2)
focal_class.class_method_signature: DistanceToAtomDescriptor.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: DistanceToAtomDescriptor.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 DistanceToAtomDescriptor() {}
focal_method.class_method_signature: DistanceToAtomDescriptor.DistanceToAtomDescriptor()
focal_method.full_signature: public  DistanceToAtomDescriptor()
focal_method.identifier: DistanceToAtomDescriptor
focal_method.modifiers: public
focal_method.parameters: ()
focal_method.signature:  DistanceToAtomDescriptor()