Changes in src/unittests/bondgraphunittest.cpp [e5ad5c:49e1ae]

File:

• src/unittests/bondgraphunittest.cpp (modified) (9 diffs)

src/unittests/bondgraphunittest.cpp

@@ -14 +14 @@
 #include <iostream>
 #include <stdio.h>
+#include <cstring>
 
 #include "atom.hpp"
@@ -19 +20 @@
 #include "bondgraph.hpp"
 #include "element.hpp"
-#include "log.hpp"
 #include "molecule.hpp"
 #include "periodentafel.hpp"
@@ -42 +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;
+  carbon->Z = 1;
   strcpy(carbon->name, "carbon");
   strcpy(carbon->symbol, "C");
@@ -62 +58 @@
   TestMolecule = new molecule(tafel);
   Walker = new atom();
-  Walker->type = carbon;
+  Walker->type = hydrogen;
   Walker->node->Init(1., 0., 1. );
   TestMolecule->AddAtom(Walker);
   Walker = new atom();
-  Walker->type = carbon;
+  Walker->type = hydrogen;
   Walker->node->Init(0., 1., 1. );
   TestMolecule->AddAtom(Walker);
   Walker = new atom();
-  Walker->type = carbon;
+  Walker->type = hydrogen;
   Walker->node->Init(1., 1., 0. );
   TestMolecule->AddAtom(Walker);
   Walker = new atom();
-  Walker->type = carbon;
+  Walker->type = hydrogen;
   Walker->node->Init(0., 0., 0. );
   TestMolecule->AddAtom(Walker);
@@ -82 +78 @@
 
   // create a small file with table
-  dummyname = new string("dummy.dat");
   filename = new string("test.dat");
   ofstream test(filename->c_str());
@@ -88 +83 @@
   test << "H\t1.\t1.2\n";
   test << "C\t1.2\t1.5\n";
+  test.close();
   BG = new BondGraph(true);
 };
@@ -97 +93 @@
   remove(filename->c_str());
   delete(filename);
-  delete(dummyname);
   delete(BG);
 
@@ -119 +114 @@
 /** UnitTest for BondGraphTest::ConstructBondGraph().
  */
-void BondGraphTest::ConstructGraphFromTableTest()
+void BondGraphTest::ConstructGraphTest()
 {
   atom *Walker = TestMolecule->start->next;
@@ -125 +120 @@
   CPPUNIT_ASSERT( TestMolecule->end != Walker );
   CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(*filename) );
-  CPPUNIT_ASSERT_EQUAL( true , BG->ConstructBondGraph(TestMolecule) );
-  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) );