Changes in src/unittests/listofbondsunittest.cpp [1bd79e:e08c46]

File:

• src/unittests/listofbondsunittest.cpp (modified) (14 diffs)

src/unittests/listofbondsunittest.cpp

@@ -38 +38 @@
   atom *Walker = NULL;
 
-  // init private all pointers to zero
-  TestMolecule = NULL;
-  hydrogen = NULL;
-  tafel = 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);
+  hydrogen = World::getInstance().getPeriode()->FindElement(1);
+  CPPUNIT_ASSERT(hydrogen != NULL && "could not find element hydrogen");
 
   // construct molecule (tetraeder of hydrogens)
   TestMolecule = World::getInstance().createMolecule();
-  Walker = World::getInstance().createAtom();
+  CPPUNIT_ASSERT(TestMolecule != NULL && "could not create molecule");
+  Walker = World::getInstance().createAtom();
+  CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
   Walker->type = hydrogen;
   *Walker->node = Vector(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
   Walker = World::getInstance().createAtom();
+  CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
   Walker->type = hydrogen;
   *Walker->node = Vector(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
   Walker = World::getInstance().createAtom();
+  CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
   Walker->type = hydrogen;
   *Walker->node = Vector(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
   Walker = World::getInstance().createAtom();
+  CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
   Walker->type = hydrogen;
   *Walker->node = Vector(0., 0., 0. );
@@ -74 +67 @@
 
   // check that TestMolecule was correctly constructed
-  CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
-
+  CPPUNIT_ASSERT_EQUAL( TestMolecule->getAtomCount(), 4 );
 };
 
@@ -86 +78 @@
   // are all cleaned when the world is destroyed
   World::purgeInstance();
-  MemoryUsageObserver::purgeInstance();
   logger::purgeInstance();
 };
 
+/** Tests whether setup worked correctly.
+ *
+ */
+void ListOfBondsTest::SetupTest()
+{
+  CPPUNIT_ASSERT_EQUAL( false, TestMolecule->empty() );
+  CPPUNIT_ASSERT_EQUAL( (size_t)4, TestMolecule->size() );
+};
+
 /** Unit Test of molecule::AddBond()
  *
@@ -96 +96 @@
 {
   bond *Binder = NULL;
-  atom *atom1 = TestMolecule->start->next;
-  atom *atom2 = atom1->next;
-  CPPUNIT_ASSERT( atom1 != NULL );
-  CPPUNIT_ASSERT( atom2 != NULL );
-
-  // add bond
-  Binder = TestMolecule->AddBond(atom1, atom2, 1);
-  CPPUNIT_ASSERT( Binder != NULL );
-  bond *TestBond = TestMolecule->first->next;
-  CPPUNIT_ASSERT_EQUAL ( TestBond, Binder );
+  molecule::iterator iter = TestMolecule->begin();
+  atom *atom1 = *iter;
+  iter++;
+  atom *atom2 = *iter;
+  CPPUNIT_ASSERT( atom1 != NULL );
+  CPPUNIT_ASSERT( atom2 != NULL );
+
+  // add bond
+  Binder = TestMolecule->AddBond(atom1, atom2, 1);
+  CPPUNIT_ASSERT( Binder != NULL );
+  CPPUNIT_ASSERT_EQUAL ( true, TestMolecule->hasBondStructure() );
 
   // check that bond contains the two atoms
@@ -124 +125 @@
 {
   bond *Binder = NULL;
-  atom *atom1 = TestMolecule->start->next;
-  atom *atom2 = atom1->next;
+  molecule::iterator iter = TestMolecule->begin();
+  atom *atom1 = *iter;
+  iter++;
+  atom *atom2 = *iter;
   CPPUNIT_ASSERT( atom1 != NULL );
   CPPUNIT_ASSERT( atom2 != NULL );
@@ -141 +144 @@
 
   // check if removed from molecule
-  CPPUNIT_ASSERT_EQUAL( TestMolecule->first->next, TestMolecule->last );
+  CPPUNIT_ASSERT_EQUAL( false, TestMolecule->hasBondStructure() );
 };
 
@@ -150 +153 @@
 {
   bond *Binder = NULL;
-  atom *atom1 = TestMolecule->start->next;
-  atom *atom2 = atom1->next;
-  atom *atom3 = atom2->next;
+  molecule::iterator iter = TestMolecule->begin();
+  atom *atom1 = *iter;
+  iter++;
+  atom *atom2 = *iter;
+  iter++;
+  atom *atom3 = *iter;
   CPPUNIT_ASSERT( atom1 != NULL );
   CPPUNIT_ASSERT( atom2 != NULL );
@@ -179 +185 @@
 
   // check if removed from molecule
-  CPPUNIT_ASSERT_EQUAL( TestMolecule->first->next, Binder );
-  CPPUNIT_ASSERT_EQUAL( Binder->next, TestMolecule->last );
+  CPPUNIT_ASSERT_EQUAL( true, TestMolecule->hasBondStructure() );
+  CPPUNIT_ASSERT_EQUAL( (unsigned int)1, TestMolecule->CountBonds() );
 };
 
@@ -189 +195 @@
 {
   bond *Binder = NULL;
-  atom *atom1 = TestMolecule->start->next;
-  atom *atom2 = atom1->next;
+  molecule::iterator iter = TestMolecule->begin();
+  atom *atom1 = *iter;
+  iter++;
+  atom *atom2 = *iter;
   CPPUNIT_ASSERT( atom1 != NULL );
   CPPUNIT_ASSERT( atom2 != NULL );
@@ -206 +214 @@
 
   // check if removed from molecule
-  CPPUNIT_ASSERT_EQUAL( TestMolecule->first->next, TestMolecule->last );
+  CPPUNIT_ASSERT_EQUAL( false, TestMolecule->hasBondStructure() );
 };
 
@@ -215 +223 @@
 {
   bond *Binder = NULL;
-  atom *atom1 = TestMolecule->start->next;
-  atom *atom2 = atom1->next;
+  molecule::iterator iter = TestMolecule->begin();
+  atom *atom1 = *iter;
+  iter++;
+  atom *atom2 = *iter;
   CPPUNIT_ASSERT( atom1 != NULL );
   CPPUNIT_ASSERT( atom2 != NULL );
@@ -231 +241 @@
 
   // check if removed from molecule
-  CPPUNIT_ASSERT_EQUAL( TestMolecule->first->next, TestMolecule->last );
+  CPPUNIT_ASSERT_EQUAL( false, TestMolecule->hasBondStructure() );
 };
 
@@ -240 +250 @@
 {
   bond *Binder = NULL;
-  atom *atom1 = TestMolecule->start->next;
-  atom *atom2 = atom1->next;
+  molecule::iterator iter = TestMolecule->begin();
+  atom *atom1 = *iter;
+  iter++;
+  atom *atom2 = *iter;
   CPPUNIT_ASSERT( atom1 != NULL );
   CPPUNIT_ASSERT( atom2 != NULL );
@@ -256 +268 @@
 
   // check if removed from molecule
-  CPPUNIT_ASSERT_EQUAL( TestMolecule->first->next, TestMolecule->last );
-};
+  CPPUNIT_ASSERT_EQUAL( true, TestMolecule->hasBondStructure() );
+};