Changes in src/unittests/AnalysisPairCorrelationUnitTest.cpp [d74077:e5c0a1]

File:

• src/unittests/AnalysisPairCorrelationUnitTest.cpp (modified) (2 diffs)

src/unittests/AnalysisPairCorrelationUnitTest.cpp

@@ -49 +49 @@
 
   // construct element list
-  std::vector<element *> elements;
+  std::vector<const element *> elements;
   hydrogen = World::getInstance().getPeriode()->FindElement(1);
   CPPUNIT_ASSERT(hydrogen != NULL && "hydrogen element not found");
@@ -58 +58 @@
   TestMolecule = World::getInstance().createMolecule();
   Walker = World::getInstance().createAtom();
-  Walker->setType(hydrogen);
-  Walker->setPosition(Vector(1., 0., 1. ));
+  Walker->type = hydrogen;
+  *Walker->node = Vector(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
   Walker = World::getInstance().createAtom();
-  Walker->setType(hydrogen);
-  Walker->setPosition(Vector(0., 1., 1. ));
+  Walker->type = hydrogen;
+  *Walker->node = Vector(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
   Walker = World::getInstance().createAtom();
-  Walker->setType(hydrogen);
-  Walker->setPosition(Vector(1., 1., 0. ));
+  Walker->type = hydrogen;
+  *Walker->node = Vector(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
   Walker = World::getInstance().createAtom();
-  Walker->setType(hydrogen);
-  Walker->setPosition(Vector(0., 0., 0. ));
+  Walker->type = hydrogen;
+  *Walker->node = Vector(0., 0., 0. );
   TestMolecule->AddAtom(Walker);