Ignore:
Timestamp:
Jun 28, 2010, 3:38:05 PM (15 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, 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_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
Children:
13892b, 51a5c8
Parents:
b2531f (diff), c39cc4 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
git-author:
Frederik Heber <heber@…> (06/28/10 14:53:18)
git-committer:
Frederik Heber <heber@…> (06/28/10 15:38:05)
Message:

Merge branch 'StructureRefactoring' into stable

Conflicts:

molecuilder/src/analysis_bonds.cpp
molecuilder/src/analysis_bonds.hpp
molecuilder/src/builder.cpp
molecuilder/src/unittests/Makefile.am
molecuilder/src/unittests/TestRunnerMain.cpp

  • TESTFIX: Tesselations/heptan - Due to different implementations of GetCircumCenter() sequence of triangles nodes has changed in degenerate case
  • TESTFIX: Tesselation/1-3 - Due to convexity criterion fourth argument (i.e. the value at the node) has changed.

Signed-off-by: Frederik Heber <heber@…>

Location:
tests/regression/Tesselation/2/post
Files:
2 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Tesselation/2/post/ConvexEnvelope.dat

    rb2531f rbdb143  
    22VARIABLES = "X" "Y" "Z" "U"
    33ZONE T="test", N=8, E=12, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
    4 9.78209 2.64589 2.64589 0
    5 9.78209 2.64589 4.42589 0
    6 10.672 3.90454 3.53589 0
    7 8.53279 4.78789 2.64589 0
    8 8.53279 4.78789 4.42589 0
    9 6.39363 3.90454 3.53589 0
    10 7.28359 2.64589 2.64589 0
    11 7.28359 2.64589 4.42589 0
     49.78209 2.64589 2.64589 -9.24443
     59.78209 2.64589 4.42589 -11.4804
     610.672 3.90454 3.53589 -9.35464
     78.53279 4.78789 2.64589 -9.11459
     88.53279 4.78789 4.42589 -9.11459
     96.39363 3.90454 3.53589 -9.35431
     107.28359 2.64589 2.64589 -11.4803
     117.28359 2.64589 4.42589 -9.24433
    1212
    13131 3 4

  • tests/regression/Tesselation/2/post/NonConvexEnvelope.dat

    rb2531f rbdb143  
    22VARIABLES = "X" "Y" "Z" "U"
    33ZONE T="test", N=8, E=12, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
    4 9.78209 2.64589 2.64589 0
    5 9.78209 2.64589 4.42589 0
    6 10.672 3.90454 3.53589 0
    7 8.53279 4.78789 2.64589 0
    8 8.53279 4.78789 4.42589 0
    9 6.39363 3.90454 3.53589 0
    10 7.28359 2.64589 2.64589 0
    11 7.28359 2.64589 4.42589 0
     49.78209 2.64589 2.64589 -9.24443
     59.78209 2.64589 4.42589 -11.4804
     610.672 3.90454 3.53589 -9.35464
     78.53279 4.78789 2.64589 -9.11459
     88.53279 4.78789 4.42589 -9.11459
     96.39363 3.90454 3.53589 -9.35431
     107.28359 2.64589 2.64589 -11.4803
     117.28359 2.64589 4.42589 -9.24433
    1212
    13131 3 4
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