Changes in src/unittests/LinkedCellUnitTest.cpp [4ac1aa:920c70]

File:

• src/unittests/LinkedCellUnitTest.cpp (modified) (8 diffs)

src/unittests/LinkedCellUnitTest.cpp

@@ -60 +60 @@
 
   // check that TestMolecule was correctly constructed
-  CPPUNIT_ASSERT_EQUAL( TestMolecule->getAtomCount(), 3*3*3 );
+  CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 3*3*3 );
+  Walker = TestMolecule->start->next;
+  CPPUNIT_ASSERT( TestMolecule->end != Walker );
 };
 
@@ -185 +187 @@
 {
   // check all atoms
-  for(molecule::iterator iter = TestMolecule->begin(); iter != TestMolecule->end();++iter){
-    CPPUNIT_ASSERT_EQUAL( true, LC->SetIndexToNode(*iter) );
+  atom *Walker = TestMolecule->start;
+  while (Walker->next != TestMolecule->end) {
+    Walker = Walker->next;
+    CPPUNIT_ASSERT_EQUAL( true, LC->SetIndexToNode(Walker) );
   }
 
   // check internal vectors, returns false, because this atom is not in LC-list!
-  atom *newAtom = World::getInstance().createAtom();
-  newAtom->setName("test");
-  newAtom->x= Vector(1,1,1);
-  CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(newAtom) );
-  World::getInstance().destroyAtom(newAtom);
+  Walker = World::getInstance().createAtom();
+  Walker->setName("test");
+  Walker->x= Vector(1,1,1);
+  CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(Walker) );
+  World::getInstance().destroyAtom(Walker);
 
   // check out of bounds vectors
-  newAtom = World::getInstance().createAtom();
-  newAtom->setName("test");
-  newAtom->x = Vector(0,-1,0);
-  CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(newAtom) );
-  World::getInstance().destroyAtom(newAtom);
+  Walker = World::getInstance().createAtom();
+  Walker->setName("test");
+  Walker->x = Vector(0,-1,0);
+  CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(Walker) );
+  World::getInstance().destroyAtom(Walker);
 };
 
@@ -264 +268 @@
   Vector tester;
   LinkedCell::LinkedNodes *ListOfPoints = NULL;
+  atom *Walker = NULL;
   size_t size = 0;
 
@@ -272 +277 @@
   size = ListOfPoints->size();
   CPPUNIT_ASSERT_EQUAL( (size_t)27, size );
-
-  for(molecule::iterator iter = TestMolecule->begin(); iter != TestMolecule->end(); ++iter){
-    ListOfPoints->remove((*iter));
+  Walker = TestMolecule->start;
+  Walker = TestMolecule->start;
+  while (Walker->next != TestMolecule->end) {
+    Walker = Walker->next;
+    ListOfPoints->remove(Walker);
     size--;
     CPPUNIT_ASSERT_EQUAL( size, ListOfPoints->size() );
@@ -289 +296 @@
   size=ListOfPoints->size();
   CPPUNIT_ASSERT_EQUAL( (size_t)8, size );
-  for(molecule::iterator iter = TestMolecule->begin(); iter != TestMolecule->end(); ++iter){
-    if (((*iter)->x[0] <2) && ((*iter)->x[1] <2) && ((*iter)->x[2] <2)) {
-      ListOfPoints->remove(*iter);
+  Walker = TestMolecule->start;
+  while (Walker->next != TestMolecule->end) {
+    Walker = Walker->next;
+    if ((Walker->x[0] <2) && (Walker->x[1] <2) && (Walker->x[2] <2)) {
+      ListOfPoints->remove(Walker);
       size--;
       CPPUNIT_ASSERT_EQUAL( size, ListOfPoints->size() );
@@ -307 +316 @@
   size=ListOfPoints->size();
   CPPUNIT_ASSERT_EQUAL( (size_t)27, size );
-  for(molecule::iterator iter = TestMolecule->begin(); iter!=TestMolecule->end();++iter){
-    ListOfPoints->remove(*iter);
+  Walker = TestMolecule->start;
+  while (Walker->next != TestMolecule->end) {
+    Walker = Walker->next;
+    ListOfPoints->remove(Walker);
     size--;
     CPPUNIT_ASSERT_EQUAL( size, ListOfPoints->size() );
@@ -325 +336 @@
   Vector tester;
   LinkedCell::LinkedNodes *ListOfPoints = NULL;
+  atom *Walker = NULL;
   size_t size = 0;
 
@@ -333 +345 @@
   size = ListOfPoints->size();
   CPPUNIT_ASSERT_EQUAL( (size_t)7, size );
-  for(molecule::iterator iter = TestMolecule->begin(); iter!=TestMolecule->end();++iter){
-    if (((*iter)->x.DistanceSquared(tester) - 1.) < MYEPSILON ) {
-      ListOfPoints->remove(*iter);
+  Walker = TestMolecule->start;
+  while (Walker->next != TestMolecule->end) {
+    Walker = Walker->next;
+    if ((Walker->x.DistanceSquared(tester) - 1.) < MYEPSILON ) {
+      ListOfPoints->remove(Walker);
       size--;
       CPPUNIT_ASSERT_EQUAL( size, ListOfPoints->size() );