Changes in src/unittests/AnalysisPairCorrelationUnitTest.cpp [1bd79e:c78d44]

File:

• src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) (4 diffs)

src/unittests/AnalysisPairCorrelationUnitTest.cpp

@@ -44 +44 @@
   TestList = NULL;
   TestMolecule = NULL;
-  hydrogen = NULL;
-  tafel = NULL;
   correlationmap = NULL;
   binmap = NULL;
 
-  // construct element
-  hydrogen = new element;
-  hydrogen->Z = 1;
-  strcpy(hydrogen->name, "hydrogen");
-  strcpy(hydrogen->symbol, "H");
-
-  // construct periodentafel
-  tafel = World::getInstance().getPeriode();
-  tafel->AddElement(hydrogen);
+  // construct element list
+  std::vector<element *> elements;
+  hydrogen = World::getInstance().getPeriode()->FindElement(1);
+  CPPUNIT_ASSERT(hydrogen != NULL && "hydrogen element not found");
+  elements.push_back(hydrogen);
+  elements.push_back(hydrogen);
 
   // construct molecule (tetraeder of hydrogens)
@@ -79 +74 @@
 
   // check that TestMolecule was correctly constructed
-  CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
+  CPPUNIT_ASSERT_EQUAL( TestMolecule->getAtomCount(), 4 );
 
   TestList = World::getInstance().getMolecules();
@@ -86 +81 @@
 
   // init maps
-  correlationmap = PairCorrelation( TestList, hydrogen, hydrogen );
+  correlationmap = PairCorrelation( TestList, elements);
   binmap = NULL;
 
@@ -101 +96 @@
   // note that all the atoms are cleaned by TestMolecule
   World::purgeInstance();
-  MemoryUsageObserver::purgeInstance();
   logger::purgeInstance();
   errorLogger::purgeInstance();