AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since 90050b was ee50c1, checked in by Frederik Heber <heber@…>, 14 years ago |
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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.
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Property mode
set to
100644
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File size:
901 bytes
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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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