Changeset 97f9b9 for src/unittests

Timestamp:

Jun 13, 2012, 5:39:04 PM (13 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:

a483e4

Parents:

8ea3e7

git-author:

Frederik Heber <heber@…> (05/10/12 10:31:17)

git-committer:

Frederik Heber <heber@…> (06/13/12 17:39:04)

Message:

SetBoundaryConditionsAction requires vector<string> instead of string for parameter newconditions.

• we also added new setters to Box and Box_BoundaryConditions to enable it.
• TESTFIX: Boundary conditions now have to be supplied as e.g. Wrap Wrap Wrap and not "Wrap,Wrap,Wrap" on the command line.
• stream operator for Box_BoundaryConditions now also splits by "," and by " ", enhanced unit test function inputTest() on this.

File:

• src/unittests/Box_BoundaryConditionsUnitTest.cpp (modified) (2 diffs)

src/unittests/Box_BoundaryConditionsUnitTest.cpp

@@ -102 +102 @@
   std::stringstream outstream;
   outstream << *bc;
-  CPPUNIT_ASSERT( outstream.str() == std::string("Wrap, Wrap, Wrap"));
+  CPPUNIT_ASSERT( outstream.str() == std::string("Wrap Wrap Wrap"));
 }
 
@@ -132 +132 @@
 {
   // set by string
-  std::stringstream inputstream(" Bounce, Wrap, Ignore");
-  CPPUNIT_ASSERT_NO_THROW( inputstream >> *bc );
+  std::stringstream inputstream(" Bounce,Wrap,Ignore");
+  std::stringstream otherinputstream(" Bounce Wrap Ignore");
+  std::stringstream anotherinputstream(" Bounce, Wrap, Ignore");
 
   // check
+  CPPUNIT_ASSERT_NO_THROW( inputstream >> *bc );
+  CPPUNIT_ASSERT_EQUAL( BoundaryConditions::Bounce, bc->get(0) );
+  CPPUNIT_ASSERT_EQUAL( BoundaryConditions::Wrap, bc->get(1) );
+  CPPUNIT_ASSERT_EQUAL( BoundaryConditions::Ignore, bc->get(2) );
+
+  // check
+  CPPUNIT_ASSERT_NO_THROW( otherinputstream >> *bc );
+  CPPUNIT_ASSERT_EQUAL( BoundaryConditions::Bounce, bc->get(0) );
+  CPPUNIT_ASSERT_EQUAL( BoundaryConditions::Wrap, bc->get(1) );
+  CPPUNIT_ASSERT_EQUAL( BoundaryConditions::Ignore, bc->get(2) );
+
+  // check
+  CPPUNIT_ASSERT_NO_THROW( anotherinputstream >> *bc );
   CPPUNIT_ASSERT_EQUAL( BoundaryConditions::Bounce, bc->get(0) );
   CPPUNIT_ASSERT_EQUAL( BoundaryConditions::Wrap, bc->get(1) );