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
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1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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6 | */
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7 |
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8 | /*
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9 | * ParserTremolo_ElementKeysUnitTest.cpp
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10 | *
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11 | * Created on: Mar 3, 2010
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12 | * Author: metzler
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13 | */
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | #include "ParserTremolo_ElementKeysUnitTest.hpp"
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21 |
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22 | #include <cppunit/CompilerOutputter.h>
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23 | #include <cppunit/extensions/TestFactoryRegistry.h>
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24 | #include <cppunit/ui/text/TestRunner.h>
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25 |
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26 | #include "Atom/atom.hpp"
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27 | #include "Descriptors/AtomTypeDescriptor.hpp"
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28 | #include "Element/element.hpp"
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29 | #include "Element/periodentafel.hpp"
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30 | #include "Parser/TremoloParser.hpp"
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31 | #include "Parser/TremoloParser_ElementKeys.hpp"
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32 | #include "Parser/ChangeTracker.hpp"
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33 | #include "World.hpp"
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34 | #include "WorldTime.hpp"
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35 |
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36 | #ifdef HAVE_TESTRUNNER
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37 | #include "UnitTestMain.hpp"
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38 | #endif /*HAVE_TESTRUNNER*/
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39 |
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40 | using namespace std;
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41 |
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42 | // Registers the fixture into the 'registry'
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43 | CPPUNIT_TEST_SUITE_REGISTRATION( ParserTremolo_ElementKeysUnitTest );
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44 | void ParserTremolo_ElementKeysUnitTest::setUp()
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45 | {
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46 | knownTypes = new ElementKeys();
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47 | }
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48 |
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49 | void ParserTremolo_ElementKeysUnitTest::tearDown()
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50 | {
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51 | delete knownTypes;
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52 | }
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53 |
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54 | /************************************ tests ***********************************/
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55 |
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56 | void ParserTremolo_ElementKeysUnitTest::settergetterTest()
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57 | {
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58 | // install a key
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59 | CPPUNIT_ASSERT_NO_THROW( knownTypes->setType("H1", "H"));
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60 |
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61 | // check for excepetion
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62 | CPPUNIT_ASSERT_THROW( knownTypes->setType("H1", "H"), IllegalParserKeyException);
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63 |
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64 | // get present key
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65 | CPPUNIT_ASSERT_NO_THROW( knownTypes->getType("H1"));
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66 |
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67 | // get non-present key
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68 | CPPUNIT_ASSERT_THROW( knownTypes->getType("F"), IllegalParserKeyException);
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69 | }
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