Changeset 073a9e4 for src/Parser/unittests

Timestamp:

Feb 24, 2011, 7:26:14 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:

1e6249

Parents:

d557374

git-author:

Frederik Heber <heber@…> (02/24/11 14:32:36)

git-committer:

Frederik Heber <heber@…> (02/24/11 19:26:14)

Message:

BondedParticle::(Un)RegisterBond,AddBond,IsBondedTo with step.

• adding, removing and checking of bonds at a desired time step.

File:

• src/Parser/unittests/ParserTremoloUnitTest.cpp (modified) (3 diffs)

src/Parser/unittests/ParserTremoloUnitTest.cpp

@@ -24 +24 @@
 #include <cppunit/ui/text/TestRunner.h>
 
+#include "atom.hpp"
+#include "Descriptors/AtomTypeDescriptor.hpp"
+#include "element.hpp"
 #include "Parser/MpqcParser.hpp"
 #include "Parser/PdbParser.hpp"
@@ -29 +32 @@
 #include "Parser/TremoloParser.hpp"
 #include "Parser/XyzParser.hpp"
+#include "periodentafel.hpp"
 #include "World.hpp"
-#include "atom.hpp"
-#include "element.hpp"
-#include "periodentafel.hpp"
-#include "Descriptors/AtomTypeDescriptor.hpp"
+#include "WorldTime.hpp"
 
 #ifdef HAVE_TESTRUNNER
@@ -165 +166 @@
   CPPUNIT_ASSERT_EQUAL(3, World::getInstance().numAtoms());
   CPPUNIT_ASSERT(World::getInstance().getAtom(AtomByType(8))->
-      IsBondedTo(World::getInstance().getAtom(AtomByType(1))));
+      IsBondedTo(WorldTime::getTime(), World::getInstance().getAtom(AtomByType(1))));
   input.clear();
 }