Changeset 87d6bd for src/Descriptors/unittests/AtomDescriptorUnitTest.cpp

Timestamp:

May 6, 2013, 9:33:49 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:

5aaa43

Parents:

40d3ea

Message:

FIX: Fixing several clang errors such that we may safely use the compiler.

Changes:

• clang does not like execeptions as pure forward declarations.
• clang does not like AtomTypes[MaxTypes] with MaxTypes being dynamic.
• clang does not like cppunit to have no operator<<() for std::sets (it though finds the ones for std::vector?), it cannot use one from toString.hpp as it is declared afterwards (although before instantiation site).
• clang does not tolerate inheriting from a protected member class TQuery.
• clang does not tolerate shadowing of a variable inside a for-loop (i.e. declaring variable in loop body with same name as e.g. loop variable).

• clang compilation ran through after these changes without a single failing test.

File:

• src/Descriptors/unittests/AtomDescriptorUnitTest.cpp (modified) (3 diffs)

src/Descriptors/unittests/AtomDescriptorUnitTest.cpp

@@ -275 +275 @@
     std::set<atomId_t> reflist = getDistanceList(distance, position, atoms);
     std::set<atomId_t> testlist = getIdList(atomlist);
-    CPPUNIT_ASSERT_EQUAL( reflist, testlist );
+    CPPUNIT_ASSERT( reflist == testlist );
   }
   // ... from (4,0,0) up to 2.9 (i.e. more shells or different view)
@@ -284 +284 @@
     std::set<atomId_t> reflist = getDistanceList(distance, Vector(4.,0.,0.), atoms);
     std::set<atomId_t> testlist = getIdList(atomlist);
-    CPPUNIT_ASSERT_EQUAL( reflist, testlist );
+    CPPUNIT_ASSERT( reflist == testlist );
   }
   // ... from (10,0,0) up to 1.5
@@ -294 +294 @@
     std::set<atomId_t> reflist = getDistanceList(distance, *position, atoms);
     std::set<atomId_t> testlist = getIdList(atomlist);
-    CPPUNIT_ASSERT_EQUAL( reflist, testlist );
+    CPPUNIT_ASSERT( reflist == testlist );
     delete position;
   }