Changes in src/unittests/bondgraphunittest.cpp [ead4e6:e5ad5c]

File:

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

src/unittests/bondgraphunittest.cpp

@@ -14 +14 @@
 #include <iostream>
 #include <stdio.h>
-#include <cstring>
 
-#include "World.hpp"
 #include "atom.hpp"
 #include "bond.hpp"
 #include "bondgraph.hpp"
 #include "element.hpp"
+#include "log.hpp"
 #include "molecule.hpp"
 #include "periodentafel.hpp"
 #include "bondgraphunittest.hpp"
-#include "World.hpp"
-
-#ifdef HAVE_TESTRUNNER
-#include "UnitTestMain.hpp"
-#endif /*HAVE_TESTRUNNER*/
 
 /********************************************** Test classes **************************************/
@@ -48 +42 @@
   hydrogen = new element;
   hydrogen->Z = 1;
+  hydrogen->CovalentRadius = 0.23;
+  hydrogen->VanDerWaalsRadius = 1.09;
   strcpy(hydrogen->name, "hydrogen");
   strcpy(hydrogen->symbol, "H");
   carbon = new element;
   carbon->Z = 2;
+  carbon->CovalentRadius = 0.68;
+  carbon->VanDerWaalsRadius = 1.7;
   strcpy(carbon->name, "carbon");
   strcpy(carbon->symbol, "C");
@@ -57 +55 @@
 
   // construct periodentafel
-  tafel = World::getInstance().getPeriode();
+  tafel = new periodentafel;
   tafel->AddElement(hydrogen);
   tafel->AddElement(carbon);
 
   // construct molecule (tetraeder of hydrogens)
-  TestMolecule = World::getInstance().createMolecule();
-  Walker = World::getInstance().createAtom();
-  Walker->type = hydrogen;
+  TestMolecule = new molecule(tafel);
+  Walker = new atom();
+  Walker->type = carbon;
   Walker->node->Init(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
-  Walker->type = hydrogen;
+  Walker = new atom();
+  Walker->type = carbon;
   Walker->node->Init(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
-  Walker->type = hydrogen;
+  Walker = new atom();
+  Walker->type = carbon;
   Walker->node->Init(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
-  Walker->type = hydrogen;
+  Walker = new atom();
+  Walker->type = carbon;
   Walker->node->Init(0., 0., 0. );
   TestMolecule->AddAtom(Walker);
@@ -84 +82 @@
 
   // create a small file with table
+  dummyname = new string("dummy.dat");
   filename = new string("test.dat");
   ofstream test(filename->c_str());
@@ -89 +88 @@
   test << "H\t1.\t1.2\n";
   test << "C\t1.2\t1.5\n";
-  test.close();
   BG = new BondGraph(true);
 };
@@ -99 +97 @@
   remove(filename->c_str());
   delete(filename);
+  delete(dummyname);
   delete(BG);
 
   // remove molecule
-  World::getInstance().destroyMolecule(TestMolecule);
-  // note that all the atoms, molecules, the tafel and the elements
-  // are all cleaned when the world is destroyed
-  World::purgeInstance();
-  MemoryUsageObserver::purgeInstance();
-  logger::purgeInstance();
+  delete(TestMolecule);
+  // note that all the atoms are cleaned by TestMolecule
+  delete(tafel);
+  // note that element is cleaned by periodentafel
 };
 
@@ -122 +119 @@
 /** UnitTest for BondGraphTest::ConstructBondGraph().
  */
-void BondGraphTest::ConstructGraphTest()
+void BondGraphTest::ConstructGraphFromTableTest()
 {
   atom *Walker = TestMolecule->start->next;
@@ -131 +128 @@
   CPPUNIT_ASSERT_EQUAL( true , Walker->IsBondedTo(Runner) );
 };
+
+/** UnitTest for BondGraphTest::ConstructBondGraph().
+ */
+void BondGraphTest::ConstructGraphFromCovalentRadiiTest()
+{
+  atom *Walker = TestMolecule->start->next;
+  atom *Runner = TestMolecule->end->previous;
+  CPPUNIT_ASSERT( TestMolecule->end != Walker );
+  CPPUNIT_ASSERT_EQUAL( false , BG->LoadBondLengthTable(*dummyname) );
+  CPPUNIT_ASSERT_EQUAL( true , BG->ConstructBondGraph(TestMolecule) );
+  CPPUNIT_ASSERT_EQUAL( true , Walker->IsBondedTo(Runner) );
+};
+
+
+/********************************************** 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;
+};