Changes in src/unittests/LinkedCellUnitTest.cpp [4f9e47:920c70]

File:

• src/unittests/LinkedCellUnitTest.cpp (modified) (16 diffs)

src/unittests/LinkedCellUnitTest.cpp

@@ -22 +22 @@
 #include "periodentafel.hpp"
 #include "LinkedCellUnitTest.hpp"
+#include "World.hpp"
+
+#ifdef HAVE_TESTRUNNER
+#include "UnitTestMain.hpp"
+#endif /*HAVE_TESTRUNNER*/
 
 /********************************************** Test classes **************************************/
@@ -33 +38 @@
   atom *Walker = NULL;
 
-  // init private all pointers to zero
-  TestMolecule = NULL;
-  hydrogen = NULL;
-  tafel = NULL;
-
   // construct element
-  hydrogen = new element;
-  hydrogen->Z = 1;
-  hydrogen->CovalentRadius = 0.23;
-  strcpy(hydrogen->name, "hydrogen");
-  strcpy(hydrogen->symbol, "H");
-
-  // construct periodentafel
-  tafel = new periodentafel;
-  tafel->AddElement(hydrogen);
+  hydrogen = World::getInstance().getPeriode()->FindElement(1);
+  CPPUNIT_ASSERT(hydrogen != NULL && "could not find element hydrogen");
 
   // construct molecule (water molecule)
-  TestMolecule = new molecule(tafel);
+  TestMolecule = World::getInstance().createMolecule();
+  CPPUNIT_ASSERT(TestMolecule != NULL && "could not create molecule");
   for (double x=0.5;x<3;x+=1.)
     for (double y=0.5;y<3;y+=1.)
       for (double z=0.5;z<3;z+=1.) {
-        Walker = new atom();
+        Walker = World::getInstance().createAtom();
+        CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
         Walker->type = hydrogen;
-        Walker->node->Init(x, y, z );
+        *Walker->node = Vector(x, y, z );
         TestMolecule->AddAtom(Walker);
       }
@@ -62 +57 @@
   // construct linked cell
   LC = new LinkedCell (TestMolecule, 1.);
+  CPPUNIT_ASSERT(LC != NULL && "could not create LinkedCell");
 
   // check that TestMolecule was correctly constructed
@@ -73 +69 @@
 {
   delete(LC);
-  delete(TestMolecule);
-  // note that all the atoms are cleaned by TestMolecule
-  delete(tafel);
-  // note that element is cleaned by periodentafel
+  World::purgeInstance();
 };
 
@@ -201 +194 @@
 
   // check internal vectors, returns false, because this atom is not in LC-list!
-  Walker = new atom();
-  Walker->Name = Malloc<char>(6, "LinkedCellTest::SetIndexToNodeTest - Walker");
-  strcpy(Walker->Name, "test");
-  Walker->x.Init(1,1,1);
+  Walker = World::getInstance().createAtom();
+  Walker->setName("test");
+  Walker->x= Vector(1,1,1);
   CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(Walker) );
-  delete(Walker);
+  World::getInstance().destroyAtom(Walker);
 
   // check out of bounds vectors
-  Walker = new atom();
-  Walker->Name = Malloc<char>(6, "LinkedCellTest::SetIndexToNodeTest - Walker");
-  strcpy(Walker->Name, "test");
-  Walker->x.Init(0,-1,0);
+  Walker = World::getInstance().createAtom();
+  Walker->setName("test");
+  Walker->x = Vector(0,-1,0);
   CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(Walker) );
-  delete(Walker);
+  World::getInstance().destroyAtom(Walker);
 };
 
@@ -228 +219 @@
     for (double y=0.5;y<3;y+=1.)
       for (double z=0.5;z<3;z+=1.) {
-        tester.Init(x,y,z);
+        tester = Vector(x,y,z);
         CPPUNIT_ASSERT_EQUAL( true, LC->SetIndexToVector(&tester) );
       }
@@ -235 +226 @@
     for (double y=1.;y<4;y+=1.)
       for (double z=1.;z<4;z+=1.) {
-        tester.Init(x,y,z);
+        tester= Vector(x,y,z);
         cout << "Tester is at " << tester << "." << endl;
         CPPUNIT_ASSERT_EQUAL( true, LC->SetIndexToVector(&tester) );
@@ -243 +234 @@
     for (double y=0.5-1e-10;y<5;y+=3.1)
       for (double z=0.5-1e-10;z<5;z+=3.1) {
-        tester.Init(x,y,z);
+        tester = Vector(x,y,z);
         cout << "The following test is supposed to fail and produce an ERROR." << endl;
         CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToVector(&tester) );
       }
   // check nonsense vectors
-  tester.Init(-423598,3245978,29349);
+  tester= Vector(-423598,3245978,29349);
   cout << "The following test is supposed to fail and produce an ERROR." << endl;
   CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToVector(&tester) );
@@ -261 +252 @@
   int lower[NDIM], upper[NDIM];
 
-  tester.Init(0.5,0.5,0.5);
+  tester= Vector(0.5,0.5,0.5);
   LC->SetIndexToVector(&tester);
   LC->GetNeighbourBounds(lower, upper);
@@ -281 +272 @@
 
   // get all atoms
-  tester.Init(1.5,1.5,1.5);
+  tester= Vector(1.5,1.5,1.5);
   CPPUNIT_ASSERT_EQUAL ( true, LC->SetIndexToVector(&tester) );
   ListOfPoints = LC->GetallNeighbours();
@@ -300 +291 @@
 
   // get all atoms in one corner
-  tester.Init(0.5, 0.5, 0.5);
+  tester= Vector(0.5, 0.5, 0.5);
   CPPUNIT_ASSERT_EQUAL ( true, LC->SetIndexToVector(&tester) );
   ListOfPoints = LC->GetallNeighbours();
@@ -308 +299 @@
   while (Walker->next != TestMolecule->end) {
     Walker = Walker->next;
-    if ((Walker->x.x[0] <2) && (Walker->x.x[1] <2) && (Walker->x.x[2] <2)) {
+    if ((Walker->x[0] <2) && (Walker->x[1] <2) && (Walker->x[2] <2)) {
       ListOfPoints->remove(Walker);
       size--;
@@ -320 +311 @@
 
   // get all atoms from one corner
-  tester.Init(0.5, 0.5, 0.5);
+  tester = Vector(0.5, 0.5, 0.5);
   CPPUNIT_ASSERT_EQUAL ( true, LC->SetIndexToVector(&tester) );
   ListOfPoints = LC->GetallNeighbours(3);
@@ -349 +340 @@
 
   // get all points around central arom with radius 1.
-  tester.Init(1.5,1.5,1.5);
+  tester= Vector(1.5,1.5,1.5);
   CPPUNIT_ASSERT_EQUAL ( true, LC->SetIndexToVector(&tester) );
   ListOfPoints = LC->GetPointsInsideSphere(1., &tester);
@@ -357 +348 @@
   while (Walker->next != TestMolecule->end) {
     Walker = Walker->next;
-    if ((Walker->x.DistanceSquared(&tester) - 1.) < MYEPSILON ) {
+    if ((Walker->x.DistanceSquared(tester) - 1.) < MYEPSILON ) {
       ListOfPoints->remove(Walker);
       size--;
@@ -368 +359 @@
   delete(ListOfPoints);
 };
-
-/********************************************** Main routine **************************************/
-
-int main(int argc, char **argv)
-{
-  // Get the top level suite from the registry
-  CppUnit::Test *suite = CppUnit::TestFactoryRegistry::getRegistry().makeTest();
-
-  // Adds the test to the list of test to run
-  CppUnit::TextUi::TestRunner runner;
-  runner.addTest( suite );
-
-  // Change the default outputter to a compiler error format outputter
-  runner.setOutputter( new CppUnit::CompilerOutputter( &runner.result(),
-                                                       std::cerr ) );
-  // Run the tests.
-  bool wasSucessful = runner.run();
-
-  // Return error code 1 if the one of test failed.
-  return wasSucessful ? 0 : 1;
-};
-