Changeset 4e855e for src/unittests

Timestamp:

Feb 4, 2011, 6:56:38 PM (14 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:

febef3

Parents:

fd3788

git-author:

Frederik Heber <heber@…> (02/04/11 18:54:12)

git-committer:

Frederik Heber <heber@…> (02/04/11 18:56:38)

Message:

BondGraph::LoadBondLengthTable() now accepts istream instead of const char *.

• This has been quite a lot of work because the matrix parsing is involved.
• Hence, the fix is not really clean, this should get fixed as soon as we deal with the BondGraph implementation.
• This fixes ticket #130.

Location:

src/unittests

Files:

• AnalysisBondsUnitTest.cpp (modified) (3 diffs)
• BondGraphUnitTest.cpp (modified) (6 diffs)
• BondGraphUnitTest.hpp (modified) (1 diff)

src/unittests/AnalysisBondsUnitTest.cpp

@@ -92 +92 @@
   CPPUNIT_ASSERT_EQUAL( TestMolecule->getAtomCount(), 5 );
 
-  // create a small file with table
-  filename = new string("test.dat");
-  CPPUNIT_ASSERT(filename != NULL && "could not create string");
-  ofstream test(filename->c_str());
+  // create stream with table
+  std::stringstream test;
   test << ".\tH\tHe\tLi\tBe\tB\tC\n";
   test << "H\t1.\t1.\t1.\t1.\t1.\t1.2\n";
@@ -103 +101 @@
   test << "B\t1.\t1.\t1.\t1.\t1.\t1.\n";
   test << "C\t1.2\t1.\t1.\t1.\t1.\t1.5\n";
-  test.close();
   BG = new BondGraph(true);
   CPPUNIT_ASSERT(BG != NULL && "could not create BondGraph");
 
-  CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(*filename) );
+  CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(test) );
   CPPUNIT_ASSERT_EQUAL( 1., BG->GetBondLength(0,0) );
   CPPUNIT_ASSERT_EQUAL( 1.2, BG->GetBondLength(0,5) );
@@ -119 +116 @@
 {
   // remove the file
-  remove(filename->c_str());
-  delete(filename);
   delete(BG);
 

src/unittests/BondGraphUnitTest.cpp

@@ -92 +92 @@
   CPPUNIT_ASSERT_EQUAL( TestMolecule->getAtomCount(), 4 );
 
-  // create a small file with table
-  dummyname = new string("dummy.dat");
-  CPPUNIT_ASSERT(dummyname != NULL && "could not create string");
-  filename = new string("test.dat");
-  CPPUNIT_ASSERT(filename != NULL && "could not create string");
-  ofstream test(filename->c_str());
+  // create stream with table
   test << ".\tH\tHe\tLi\tBe\tB\tC\n";
   test << "H\t1.\t1.\t1.\t1.\t1.\t1.2\n";
@@ -105 +100 @@
   test << "B\t1.\t1.\t1.\t1.\t1.\t1.\n";
   test << "C\t1.2\t1.\t1.\t1.\t1.\t1.5\n";
-  test.close();
+  // created bad stream (i.e. non-present file)
+  dummy.setstate(ios::eofbit);
+  CPPUNIT_ASSERT(dummy.eof());
   BG = new BondGraph(true);
   CPPUNIT_ASSERT(BG != NULL && "could not create BondGraph");
@@ -114 +111 @@
 {
   // remove the file
-  remove(filename->c_str());
-  delete(filename);
-  delete(dummyname);
   delete(BG);
 
@@ -139 +133 @@
 void BondGraphTest::LoadTableTest()
 {
-  CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(*filename) );
+  CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(test) );
   CPPUNIT_ASSERT_EQUAL( 1., BG->GetBondLength(0,0) );
   CPPUNIT_ASSERT_EQUAL( 1.2, BG->GetBondLength(0,5) );
@@ -152 +146 @@
   molecule::iterator Runner = TestMolecule->begin();
   Runner++;
-  CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(*filename) );
+  CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(test) );
   CPPUNIT_ASSERT_EQUAL( true , BG->ConstructBondGraph(TestMolecule) );
   CPPUNIT_ASSERT_EQUAL( true , (*Walker)->IsBondedTo((*Runner)) );
@@ -165 +159 @@
   //atom *Runner = TestMolecule->end->previous;
   //CPPUNIT_ASSERT( TestMolecule->end != Walker );
-  CPPUNIT_ASSERT_EQUAL( false , BG->LoadBondLengthTable(*dummyname) );
+  CPPUNIT_ASSERT_EQUAL( false , BG->LoadBondLengthTable(dummy) );
   CPPUNIT_ASSERT_EQUAL( true , BG->ConstructBondGraph(TestMolecule) );
 

src/unittests/BondGraphUnitTest.hpp

@@ -49 +49 @@
 
       BondGraph *BG;
-      string *filename;
-      string *dummyname;
+      std::stringstream dummy;
+      std::stringstream test;
 };