Changeset 88c8ec for src/unittests

Timestamp:

Jan 17, 2013, 10:59:15 PM (12 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

c8302f3

Parents:

d6b6ce

git-author:

Frederik Heber <heber@…> (10/29/12 00:28:46)

git-committer:

Frederik Heber <heber@…> (01/17/13 22:59:15)

Message:

REFACTOR: Replaced all "bond *" appearances by bond::ptr.

• this is preparatory for making bond::ptr a boost::shared_ptr of bond.
• NOTE: We had to remove a const prefix at four or five places and forward declarations had to be replaced by the true inclusion of bond.hpp at tne or so files. Apart from that, the replacement has been very smooth.

File:

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

src/unittests/ListOfBondsUnitTest.cpp

@@ -126 +126 @@
 void ListOfBondsTest::AddingBondTest()
 {
-  bond *Binder = NULL;
+  bond::ptr Binder = NULL;
   molecule::iterator iter = TestMolecule->begin();
   atom *atom1 = *iter;
@@ -147 +147 @@
   BondList::const_iterator bonditer;
   bonditer = bondlist1.begin();
-  bond *TestBond1 = *bonditer;
+  bond::ptr TestBond1 = *bonditer;
   CPPUNIT_ASSERT_EQUAL( TestBond1, Binder );
   const BondList &bondlist2 = atom2->getListOfBonds();
   bonditer = bondlist2.begin();
-  bond *TestBond2 = *bonditer;
+  bond::ptr TestBond2 = *bonditer;
   CPPUNIT_ASSERT_EQUAL( TestBond2, Binder );
 };
@@ -160 +160 @@
 void ListOfBondsTest::RemovingBondTest()
 {
-  bond *Binder = NULL;
+  bond::ptr Binder = NULL;
   molecule::iterator iter = TestMolecule->begin();
   atom *atom1 = *iter;
@@ -194 +194 @@
 void ListOfBondsTest::RemovingBondsTest()
 {
-  bond *Binder = NULL;
+  bond::ptr Binder = NULL;
   molecule::iterator iter = TestMolecule->begin();
   atom *atom1 = *iter;
@@ -249 +249 @@
 };
 
-/** Unit Test of delete(bond *)
+/** Unit Test of delete(bond::ptr )
  *
  */
 void ListOfBondsTest::DeleteBondTest()
 {
-  bond *Binder = NULL;
+  bond::ptr Binder = NULL;
   molecule::iterator iter = TestMolecule->begin();
   atom *atom1 = *iter;
@@ -288 +288 @@
 void ListOfBondsTest::RemoveAtomTest()
 {
-  bond *Binder = NULL;
+  bond::ptr Binder = NULL;
   molecule::iterator iter = TestMolecule->begin();
   atom *atom1 = *iter;
@@ -320 +320 @@
   atom *atom1 = NULL;
   atom *atom2 = NULL;
-  bond *Binder = NULL;
+  bond::ptr Binder = NULL;
   {
     molecule::iterator iter = TestMolecule->begin();
@@ -366 +366 @@
   atom *atom1 = NULL;
   atom *atom2 = NULL;
-  bond *Binder = NULL;
+  bond::ptr Binder = NULL;
   {
     molecule::iterator iter = TestMolecule->begin();