test_class.declarator: standAlone = false
test_class.original_string: boolean standAlone = false;
test_class.type: boolean
test_class.var_name: standAlone
test_class.file: descriptor/fingerprint/src/test/java/org/openscience/cdk/similarity/DistanceMomentTest.java
test_class.identifier: DistanceMomentTest
test_class.superclass: extends CDKTestCase
test_case.body: @Test
      public void test3DSim1() throws Exception {
          String filename = "data/mdl/sim3d1.sdf";
          IAtomContainer ac = loadMolecule(filename);
          float sim = DistanceMoment.calculate(ac, ac);
          Assert.assertEquals(1.0000, sim, 0.00001);
      }
test_case.class_method_signature: DistanceMomentTest.test3DSim1()
test_case.full_signature: @Test public void test3DSim1()
test_case.identifier: test3DSim1
test_case.invocations: loadMolecule calculate assertEquals
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void test3DSim1()
focal_class.file: descriptor/fingerprint/src/main/java/org/openscience/cdk/similarity/DistanceMoment.java
focal_class.identifier: DistanceMoment
focal_class.class_method_signature: DistanceMoment.getGeometricCenter(IAtomContainer atomContainer)
focal_class.full_signature: private static Point3d getGeometricCenter(IAtomContainer atomContainer)
focal_class.identifier: getGeometricCenter
focal_class.modifiers: private static
focal_class.parameters: (IAtomContainer atomContainer)
focal_class.return: Point3d
focal_class.signature: Point3d getGeometricCenter(IAtomContainer atomContainer)
focal_class.class_method_signature: DistanceMoment.mu1(double[] x)
focal_class.full_signature: private static float mu1(double[] x)
focal_class.identifier: mu1
focal_class.modifiers: private static
focal_class.parameters: (double[] x)
focal_class.return: float
focal_class.signature: float mu1(double[] x)
focal_class.class_method_signature: DistanceMoment.mu2(double[] x, double mean)
focal_class.full_signature: private static float mu2(double[] x, double mean)
focal_class.identifier: mu2
focal_class.modifiers: private static
focal_class.parameters: (double[] x, double mean)
focal_class.return: float
focal_class.signature: float mu2(double[] x, double mean)
focal_class.class_method_signature: DistanceMoment.mu3(double[] x, double mean, double sigma)
focal_class.full_signature: private static float mu3(double[] x, double mean, double sigma)
focal_class.identifier: mu3
focal_class.modifiers: private static
focal_class.parameters: (double[] x, double mean, double sigma)
focal_class.return: float
focal_class.signature: float mu3(double[] x, double mean, double sigma)
focal_class.class_method_signature: DistanceMoment.generateMoments(IAtomContainer atomContainer)
focal_class.full_signature: public static float[] generateMoments(IAtomContainer atomContainer)
focal_class.identifier: generateMoments
focal_class.modifiers: public static
focal_class.parameters: (IAtomContainer atomContainer)
focal_class.return: float[]
focal_class.signature: float[] generateMoments(IAtomContainer atomContainer)
focal_class.class_method_signature: DistanceMoment.calculate(IAtomContainer query, IAtomContainer target)
focal_class.full_signature: public static float calculate(IAtomContainer query, IAtomContainer target)
focal_class.identifier: calculate
focal_class.modifiers: public static
focal_class.parameters: (IAtomContainer query, IAtomContainer target)
focal_class.return: float
focal_class.signature: float calculate(IAtomContainer query, IAtomContainer target)
focal_method.body: public static float calculate(IAtomContainer query, IAtomContainer target) throws CDKException {
          float[] mom1 = generateMoments(query);
          float[] mom2 = generateMoments(target);
          float sum = 0;
          for (int i = 0; i < mom1.length; i++) {
              sum += Math.abs(mom1[i] - mom2[i]);
          }
          return (float) (1.0 / (1.0 + sum / 12.0));
      }
focal_method.class_method_signature: DistanceMoment.calculate(IAtomContainer query, IAtomContainer target)
focal_method.full_signature: public static float calculate(IAtomContainer query, IAtomContainer target)
focal_method.identifier: calculate
focal_method.invocations: generateMoments generateMoments abs
focal_method.modifiers: public static
focal_method.parameters: (IAtomContainer query, IAtomContainer target)
focal_method.return: float
focal_method.signature: float calculate(IAtomContainer query, IAtomContainer target)