test_class.file: tool/formula/src/test/java/org/openscience/cdk/formula/IsotopePatternManipulatorTest.java
test_class.identifier: IsotopePatternManipulatorTest
test_class.superclass: extends CDKTestCase
test_case.body: @Test
      public void testSortAndNormalizedByIntensity_IsotopePattern() {
          IsotopePattern spExp = new IsotopePattern();
          spExp.addIsotope(new IsotopeContainer(157.07503, 0.0002));
          spExp.setMonoIsotope(new IsotopeContainer(156.07770, 2));
          spExp.addIsotope(new IsotopeContainer(158.08135, 0.004));
          spExp.addIsotope(new IsotopeContainer(157.08059, 0.0006));
          spExp.setCharge(1);
  
          IsotopePattern isoNorma = IsotopePatternManipulator.sortAndNormalizedByIntensity(spExp);
          List<IsotopeContainer> listISO = isoNorma.getIsotopes();
          Assert.assertEquals(156.07770, isoNorma.getMonoIsotope().getMass(), 0.00001);
          Assert.assertEquals(156.07770, listISO.get(0).getMass(), 0.00001);
          Assert.assertEquals(158.08135, listISO.get(1).getMass(), 0.00001);
          Assert.assertEquals(157.08059, listISO.get(2).getMass(), 0.00001);
          Assert.assertEquals(157.07503, listISO.get(3).getMass(), 0.00001);
  
          Assert.assertEquals(1, isoNorma.getMonoIsotope().getIntensity(), 0.00001);
          Assert.assertEquals(1, listISO.get(0).getIntensity(), 0.00001);
          Assert.assertEquals(0.002, listISO.get(1).getIntensity(), 0.00001);
          Assert.assertEquals(0.0003, listISO.get(2).getIntensity(), 0.00001);
          Assert.assertEquals(0.0001, listISO.get(3).getIntensity(), 0.00001);
  
          Assert.assertEquals(1, isoNorma.getCharge(), 0.001);
      }
test_case.class_method_signature: IsotopePatternManipulatorTest.testSortAndNormalizedByIntensity_IsotopePattern()
test_case.full_signature: @Test public void testSortAndNormalizedByIntensity_IsotopePattern()
test_case.identifier: testSortAndNormalizedByIntensity_IsotopePattern
test_case.invocations: addIsotope setMonoIsotope addIsotope addIsotope setCharge sortAndNormalizedByIntensity getIsotopes assertEquals getMass getMonoIsotope assertEquals getMass get assertEquals getMass get assertEquals getMass get assertEquals getMass get assertEquals getIntensity getMonoIsotope assertEquals getIntensity get assertEquals getIntensity get assertEquals getIntensity get assertEquals getIntensity get assertEquals getCharge
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testSortAndNormalizedByIntensity_IsotopePattern()
focal_class.file: tool/formula/src/main/java/org/openscience/cdk/formula/IsotopePatternManipulator.java
focal_class.identifier: IsotopePatternManipulator
focal_class.class_method_signature: IsotopePatternManipulator.normalize(IsotopePattern isotopeP)
focal_class.full_signature: public static IsotopePattern normalize(IsotopePattern isotopeP)
focal_class.identifier: normalize
focal_class.modifiers: public static
focal_class.parameters: (IsotopePattern isotopeP)
focal_class.return: IsotopePattern
focal_class.signature: IsotopePattern normalize(IsotopePattern isotopeP)
focal_class.class_method_signature: IsotopePatternManipulator.sortAndNormalizedByIntensity(IsotopePattern isotopeP)
focal_class.full_signature: public static IsotopePattern sortAndNormalizedByIntensity(IsotopePattern isotopeP)
focal_class.identifier: sortAndNormalizedByIntensity
focal_class.modifiers: public static
focal_class.parameters: (IsotopePattern isotopeP)
focal_class.return: IsotopePattern
focal_class.signature: IsotopePattern sortAndNormalizedByIntensity(IsotopePattern isotopeP)
focal_class.class_method_signature: IsotopePatternManipulator.sortByIntensity(IsotopePattern isotopeP)
focal_class.full_signature: public static IsotopePattern sortByIntensity(IsotopePattern isotopeP)
focal_class.identifier: sortByIntensity
focal_class.modifiers: public static
focal_class.parameters: (IsotopePattern isotopeP)
focal_class.return: IsotopePattern
focal_class.signature: IsotopePattern sortByIntensity(IsotopePattern isotopeP)
focal_class.class_method_signature: IsotopePatternManipulator.sortByMass(IsotopePattern isotopeP)
focal_class.full_signature: public static IsotopePattern sortByMass(IsotopePattern isotopeP)
focal_class.identifier: sortByMass
focal_class.modifiers: public static
focal_class.parameters: (IsotopePattern isotopeP)
focal_class.return: IsotopePattern
focal_class.signature: IsotopePattern sortByMass(IsotopePattern isotopeP)
focal_method.body: public static IsotopePattern sortAndNormalizedByIntensity(IsotopePattern isotopeP) {
          IsotopePattern isoNorma = normalize(isotopeP);
          return sortByIntensity(isoNorma);
      }
focal_method.class_method_signature: IsotopePatternManipulator.sortAndNormalizedByIntensity(IsotopePattern isotopeP)
focal_method.full_signature: public static IsotopePattern sortAndNormalizedByIntensity(IsotopePattern isotopeP)
focal_method.identifier: sortAndNormalizedByIntensity
focal_method.invocations: normalize sortByIntensity
focal_method.modifiers: public static
focal_method.parameters: (IsotopePattern isotopeP)
focal_method.return: IsotopePattern
focal_method.signature: IsotopePattern sortAndNormalizedByIntensity(IsotopePattern isotopeP)