Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
| Line | |
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| 1 | /*
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| 2 | * ParserPsi3UnitTest.hpp
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| 3 | *
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| 4 | * Created on: Mar 3, 2010
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| 5 | * Author: metzler
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| 6 | */
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| 7 | #ifndef PARSERPSI3UNITTEST_HPP_
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| 8 | #define PARSERPSI3UNITTEST_HPP_
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| 9 |
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| 10 | // include config.h
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| 11 | #ifdef HAVE_CONFIG_H
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| 12 | #include <config.h>
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| 13 | #endif
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| 14 |
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| 15 | #include "Parser/Psi3Parser.hpp"
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| 16 |
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| 17 | #include <cppunit/extensions/HelperMacros.h>
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| 18 | #include <string>
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| 19 |
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| 20 | class Psi3Parser_Parameters;
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| 21 |
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| 22 | class ParserPsi3UnitTest : public CppUnit::TestFixture
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| 23 | {
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| 24 | CPPUNIT_TEST_SUITE( ParserPsi3UnitTest ) ;
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| 25 | CPPUNIT_TEST ( ParameterDefaultTest );
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| 26 | CPPUNIT_TEST ( ParameterSetterTest );
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| 27 | CPPUNIT_TEST ( ParameterCloneTest );
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| 28 | CPPUNIT_TEST ( readPsi3Test );
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| 29 | CPPUNIT_TEST ( writePsi3Test );
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| 30 | CPPUNIT_TEST_SUITE_END();
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| 31 |
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| 32 | public:
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| 33 | void setUp();
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| 34 | void tearDown();
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| 35 |
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| 36 | void ParameterDefaultTest();
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| 37 | void ParameterSetterTest();
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| 38 | void ParameterCloneTest();
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| 39 | void readPsi3Test();
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| 40 | void writePsi3Test();
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| 41 |
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| 42 | private:
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| 43 | FormatParser<psi3> *parser;
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| 44 | Psi3Parser_Parameters *params;
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| 45 | };
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| 46 |
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| 47 | #endif /* PARSERPSI3UNITTEST_HPP_ */
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