Changeset 360c8b for src/Parser/unittests/ParserPcpUnitTest.cpp

Timestamp:

Oct 20, 2011, 10:42:16 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, Candidate_v1.7.0, 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:

f94953

Parents:

fa9d1d (diff), 752bb4 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Frederik Heber <heber@…> (10/20/11 22:40:59)

git-committer:

Frederik Heber <heber@…> (10/20/11 22:42:16)

Message:

Merge branch 'Adding_Psi3Parser' into stable

Conflicts:

src/Parser/FormatParser.hpp
src/Parser/unittests/ParserTremoloUnitTest.cpp

Issues:

• Element and periodentafel have been moved to folder src/Element.

File:

• src/Parser/unittests/ParserPcpUnitTest.cpp (modified) (6 diffs)

src/Parser/unittests/ParserPcpUnitTest.cpp

@@ -24 +24 @@
 #include <cppunit/ui/text/TestRunner.h>
 
-#include "Parser/PcpParser.hpp"
 #include "World.hpp"
 #include "atom.hpp"
@@ -31 +30 @@
 #include "CodePatterns/Log.hpp"
 #include "Descriptors/AtomTypeDescriptor.hpp"
+#include "Parser/ChangeTracker.hpp"
+#include "Parser/PcpParser.hpp"
 
 #ifdef HAVE_TESTRUNNER
@@ -119 +120 @@
   World::getInstance();
 
+  parser = new FormatParser<pcp>();
+
   setVerbosity(2);
 
@@ -126 +129 @@
 }
 
-void ParserPcpUnitTest::tearDown() {
+void ParserPcpUnitTest::tearDown() 
+{
+  delete parser;
   ChangeTracker::purgeInstance();
   World::purgeInstance();
@@ -135 +140 @@
 void ParserPcpUnitTest::readwritePcpTest() {
   stringstream input(waterPcp);
-  PcpParser* testParser = new PcpParser();
-  testParser->load(&input);
+  parser->load(&input);
   input.clear();
 
@@ -142 +146 @@
 
   // check that equality function is ok
-  CPPUNIT_ASSERT(*testParser == *testParser);
+  CPPUNIT_ASSERT(*parser == *parser);
 
   stringstream output;
   std::vector<atom *> atoms = World::getInstance().getAllAtoms();
-  testParser->save(&output, atoms);
+  parser->save(&output, atoms);
 
   input << output.str();
-  PcpParser* testParser2 = new PcpParser();
-  testParser2->load(&input);
+  FormatParser<pcp>* parser2 = new FormatParser<pcp>();
+  parser2->load(&input);
 
   CPPUNIT_ASSERT_EQUAL(6, World::getInstance().numAtoms());
 
-  CPPUNIT_ASSERT(*testParser == *testParser2);
+  CPPUNIT_ASSERT(*parser == *parser2);
+
+  delete parser2;
 }