Changeset d9005c1 for src/Parser/unittests

Timestamp:

Apr 3, 2012, 7:58:43 AM (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:

a275b3

Parents:

ebc499

git-author:

Frederik Heber <heber@…> (03/12/12 15:08:21)

git-committer:

Frederik Heber <heber@…> (04/03/12 07:58:43)

Message:

Extracted TremoloParser::knownTypes into distinct class ElementKeys, and added ParserExceptions.

• added Exceptions.hpp to folder Parser with currently only exception IllegalParserKeyException.
• ElementKeys contains map that parses contents from file and may set identity mapping based on periodentafel's elements.
• getter and setter throw IllegalParserKeyException.

Location:

src/Parser/unittests

Files:

• Makefile.am (modified) (4 diffs)
• ParserTremolo_ElementKeysUnitTest.cpp (added)
• ParserTremolo_ElementKeysUnitTest.hpp (added)

src/Parser/unittests/Makefile.am

@@ -10 +10 @@
         ../Parser/unittests/ParserPsi3UnitTest.cpp \
         ../Parser/unittests/ParserTremoloUnitTest.cpp \
+        ../Parser/unittests/ParserTremolo_ElementKeysUnitTest.cpp \
         ../Parser/unittests/ParserXyzUnitTest.cpp
 
@@ -18 +19 @@
         ../Parser/unittests/ParserPsi3UnitTest.hpp \
         ../Parser/unittests/ParserTremoloUnitTest.hpp \
+        ../Parser/unittests/ParserTremolo_ElementKeysUnitTest.hpp \
         ../Parser/unittests/ParserXyzUnitTest.hpp
 
@@ -26 +28 @@
   ParserPsi3UnitTest \
   ParserTremoloUnitTest \
+  ParserTremolo_ElementKeysUnitTest \
   ParserXyzUnitTest
 
@@ -64 +67 @@
 ParserTremoloUnitTest_LDADD = ${PARSERLIBS}
 
+ParserTremolo_ElementKeysUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
+        ../Parser/unittests/ParserTremolo_ElementKeysUnitTest.cpp \
+        ../Parser/unittests/ParserTremolo_ElementKeysUnitTest.hpp
+ParserTremolo_ElementKeysUnitTest_LDADD = ${PARSERLIBS}
+
 ParserXyzUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
         ../Parser/unittests/ParserXyzUnitTest.cpp \