Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
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
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Last change
on this file since 4ecb2d was ee50c1, checked in by Frederik Heber <heber@…>, 13 years ago |
Complete rewrite of MpqcParser_Parameters to incorporate new Parameter(Storage) structure.
- FormatParser_Parameters now contains a ParameterStorage instance which
contains all parameters and is easy to clone.
- MpqcParser_Parameters is basically just an Init() function that fills this
storage for the specific case of the FormatParser<mpqc>.
- additionally, there are some convenience functions, enums and maps which
contains strings and make setting and getting parameters more easy.
- adapted MpqcParser.
- adapted Unit test for MpqcParser accordingly:
- TESTFIX: regression test Parser/Mpqc/post/empty.in was CLHF instead of
default MBPT2. As the cloning is now working flawlessly, this has been
fixed.
|
-
Property mode
set to
100644
|
File size:
901 bytes
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Rev | Line | |
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[9e4fd1] | 1 | /*
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| 2 | * ParserMpqcUnitTest.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 PARSERMPQCUNITTEST_HPP_
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| 8 | #define PARSERMPQCUNITTEST_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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[61d69a4] | 15 | #include "Parser/MpqcParser.hpp"
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[9e4fd1] | 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 ParserMpqcUnitTest : public CppUnit::TestFixture
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| 21 | {
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| 22 | CPPUNIT_TEST_SUITE( ParserMpqcUnitTest ) ;
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[61d69a4] | 23 | CPPUNIT_TEST ( ParameterDefaultTest );
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[44fce5] | 24 | CPPUNIT_TEST ( ParameterSetterTest );
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[c1db05] | 25 | CPPUNIT_TEST ( ParameterCloneTest );
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[aa8ef2] | 26 | CPPUNIT_TEST ( readMpqcTest );
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[61d69a4] | 27 | CPPUNIT_TEST ( writeMpqcTest );
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[9e4fd1] | 28 | CPPUNIT_TEST_SUITE_END();
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| 29 |
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| 30 | public:
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| 31 | void setUp();
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| 32 | void tearDown();
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| 33 |
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[61d69a4] | 34 | void ParameterDefaultTest();
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[44fce5] | 35 | void ParameterSetterTest();
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[c1db05] | 36 | void ParameterCloneTest();
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[aa8ef2] | 37 | void readMpqcTest();
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[9e4fd1] | 38 | void writeMpqcTest();
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[61d69a4] | 39 |
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| 40 | private:
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[765f16] | 41 | FormatParser<mpqc> *parser;
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[9e4fd1] | 42 | };
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| 43 |
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| 44 | #endif /* PARSERMPQCUNITTEST_HPP_ */
|
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