Action_Thermostats
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
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| 1 | /*
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| 2 | * SaturatedFragmentUnitTest.hpp
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| 3 | *
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| 4 | * Created on: Aug 09, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef SATURATEDFRAGMENTUNITTEST_HPP_
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| 9 | #define SATURATEDFRAGMENTUNITTEST_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| 17 | #include <cppunit/extensions/HelperMacros.h>
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| 18 |
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| 19 | #include "Fragmentation/Exporters/HydrogenPool.hpp"
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| 20 | #include "Fragmentation/Exporters/SaturatedFragment.hpp"
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| 21 |
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| 22 | class element;
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| 23 | class KeySet;
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| 24 | class molecule;
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| 25 |
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| 26 | /********************************************** Test classes **************************************/
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| 27 |
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| 28 | class SaturatedFragmentTest : public CppUnit::TestFixture
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| 29 | {
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| 30 | CPPUNIT_TEST_SUITE( SaturatedFragmentTest) ;
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| 31 | CPPUNIT_TEST ( getKeySet_Test );
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| 32 | CPPUNIT_TEST ( getRoughBoundingBox );
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| 33 | CPPUNIT_TEST_SUITE_END();
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| 34 |
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| 35 | public:
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| 36 | void setUp();
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| 37 | void tearDown();
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| 38 | void getKeySet_Test();
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| 39 | void getRoughBoundingBox();
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| 40 |
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| 41 | private:
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| 42 | HydrogenPool hydrogens;
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| 43 | SaturatedFragment::KeySetsInUse_t KeySetsInUse;
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| 44 | KeySet *set;
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| 45 | SaturatedFragment *fragment;
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| 46 |
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| 47 | molecule *TestMolecule;
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| 48 | const element *hydrogen;
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| 49 | const element *oxygen;
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| 50 | };
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| 51 |
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| 52 | #endif /* SATURATEDFRAGMENTUNITTEST_HPP_ */
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