Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
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
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
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
IndependentFragmentGrids_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
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
SaturateAtoms_findBestMatching
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
|
Last change
on this file since 0983e6 was 653cea, checked in by Frederik Heber <heber@…>, 9 years ago |
|
SphericalPointDistribution is now working with bond degree weights.
- recurseMatching() now works on IndexTupleList_t.
- also rewrote calculatePairwiseDistances() and calculateErrorOfMatching().
- L1THRESHOLD in recurseMatching() moved over to class body.
- increased verbosity level of ...Matching() functions by one, added note on
eventually chosen matching and why.
- we assert that bestL2 is not too large.
- FIX: calculateErrorOfMatching() did not use absolute value of gap for L1
error.
- TESTFIX: Using limited accuracy on point coordinates.
- TESTS: Regresssion test FragmentMolecule-cycles working again.
|
-
Property mode
set to
100644
|
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File size:
1.7 KB
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| [64cafb2] | 1 | /*
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| 2 | * SphericalPointDistributionUnitTest.hpp
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| 3 | *
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| 4 | * Created on: May 29, 2014
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef SPHERICALPOINTDISTRIBUTIONUNITTEST_HPP_
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| 9 | #define SPHERICALPOINTDISTRIBUTIONUNITTEST_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 | /********************************************** Test classes **************************************/
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| 20 |
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| 21 | class SphericalPointDistributionTest : public CppUnit::TestFixture
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| 22 | {
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| 23 | CPPUNIT_TEST_SUITE( SphericalPointDistributionTest) ;
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| [b67d89] | 24 | CPPUNIT_TEST ( areEqualToWithinBoundsTest );
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| [450adf] | 25 | CPPUNIT_TEST ( joinPointsTest );
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| [64cafb2] | 26 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_2 );
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| 27 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_3 );
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| [8d38e6] | 28 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_4 );
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| 29 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_5 );
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| 30 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_6 );
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| 31 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_7 );
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| 32 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_8 );
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| [653cea] | 33 | CPPUNIT_TEST ( matchSphericalPointDistributionsTest_multiple );
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| [64cafb2] | 34 | CPPUNIT_TEST_SUITE_END();
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| 35 |
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| 36 | public:
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| 37 | void setUp();
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| 38 | void tearDown();
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| [b67d89] | 39 | void areEqualToWithinBoundsTest();
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| [450adf] | 40 | void joinPointsTest();
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| [64cafb2] | 41 | void matchSphericalPointDistributionsTest_2();
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| 42 | void matchSphericalPointDistributionsTest_3();
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| [8d38e6] | 43 | void matchSphericalPointDistributionsTest_4();
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| 44 | void matchSphericalPointDistributionsTest_5();
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| 45 | void matchSphericalPointDistributionsTest_6();
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| 46 | void matchSphericalPointDistributionsTest_7();
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| 47 | void matchSphericalPointDistributionsTest_8();
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| [653cea] | 48 | void matchSphericalPointDistributionsTest_multiple();
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| [64cafb2] | 49 |
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| 50 | private:
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| 51 | };
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| 52 |
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| 53 | #endif /* SPHERICALPOINTDISTRIBUTIONUNITTEST_HPP_ */
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