Changes in src/unittests/AnalysisCorrelationToPointUnitTest.cpp [c4d4df:a5551b]

File:

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

src/unittests/AnalysisCorrelationToPointUnitTest.cpp

@@ -33 +33 @@
 
   // init private all pointers to zero
+  TestList = NULL;
   TestMolecule = NULL;
   hydrogen = NULL;
@@ -44 +45 @@
   hydrogen->Z = 1;
   strcpy(hydrogen->name, "hydrogen");
-  hydrogen->symbol[0] = 'H';
+  strcpy(hydrogen->symbol, "H");
+
 
   // construct periodentafel
@@ -72 +74 @@
   CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
 
+  TestList = new MoleculeListClass;
+  TestMolecule->ActiveFlag = true;
+  TestList->insert(TestMolecule);
+
   // init point
   point = new Vector(1.,1.,1.);
 
   // init maps
-  pointmap = CorrelationToPoint( (ofstream *)&cout, TestMolecule, hydrogen, point );
+  pointmap = CorrelationToPoint( (ofstream *)&cout, (MoleculeListClass * const)TestList, (const element * const)hydrogen, (const Vector *)point );
   binmap = NULL;
 
@@ -90 +96 @@
 
   // remove
-  delete(TestMolecule);
+  delete(TestList);
   // note that all the atoms are cleaned by TestMolecule
   delete(point);