source: tests/regression/Tesselation/NonConvex/post/NonConvexEnvelope.r3d@ ce70d25

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults 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_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 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 SaturateAtoms_singleDegree 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 ce70d25 was 881c05, checked in by Frederik Heber <heber@…>, 14 years ago

Changed regression testsuite structure of Tesselation.

  • all numbered test cases now have meaningful names.
  • re-activated big convex test and marked as expectedly fail.
  • Property mode set to 100644
File size: 1.9 KB
Line 
1# Raster3D object description, created by MoleCuilder
2@header.r3d
3# All atoms as spheres
42
5 1.24926 -0.870237 -0.89 0.1 1. 1. 1.
62
7 1.24926 -0.870237 0.89 0.1 1. 1. 1.
82
9 2.13922 0.388414 0 0.1 1. 1. 1.
102
11 -3.63639e-05 1.27176 -0.89 0.1 1. 1. 1.
122
13 -3.63639e-05 1.27176 0.89 0.1 1. 1. 1.
142
15 -2.13919 0.388414 0 0.1 1. 1. 1.
162
17 -1.24924 -0.870237 -0.89 0.1 1. 1. 1.
182
19 -1.24924 -0.870237 0.89 0.1 1. 1. 1.
202
21 1.24926 -0.240937 0 0.1 1. 1. 1.
222
23 -3.63639e-05 0.642463 0 0.1 1. 1. 1.
242
25 -1.24924 -0.240937 0 0.1 1. 1. 1.
26# All tesselation triangles
278
28 25. -1. 1. 1. 1. 0.0 0 0 0 2
29 SOLID 1.0 0.0 0.0
30 BACKFACE 0.3 0.3 1.0 0 0
311
32 1.24926 -0.870237 -0.89 2.13922 0.388414 0 -3.63639e-05 1.27176 -0.89 1. 0. 0.
331
34 1.24926 -0.870237 -0.89 -3.63639e-05 1.27176 -0.89 -1.24924 -0.870237 -0.89 1. 0. 0.
351
36 -3.63639e-05 1.27176 -0.89 -2.13919 0.388414 0 -1.24924 -0.870237 -0.89 1. 0. 0.
371
38 2.13922 0.388414 0 -3.63639e-05 1.27176 -0.89 -3.63639e-05 1.27176 0.89 1. 0. 0.
391
40 -3.63639e-05 1.27176 -0.89 -3.63639e-05 1.27176 0.89 -2.13919 0.388414 0 1. 0. 0.
411
42 1.24926 -0.870237 0.89 2.13922 0.388414 0 -3.63639e-05 1.27176 0.89 1. 0. 0.
431
44 1.24926 -0.870237 0.89 -3.63639e-05 1.27176 0.89 -1.24924 -0.870237 0.89 1. 0. 0.
451
46 -3.63639e-05 1.27176 0.89 -2.13919 0.388414 0 -1.24924 -0.870237 0.89 1. 0. 0.
471
48 -2.13919 0.388414 0 -1.24924 -0.870237 -0.89 -1.24924 -0.870237 0.89 1. 0. 0.
491
50 1.24926 -0.870237 0.89 -1.24924 -0.870237 -0.89 -1.24924 -0.870237 0.89 1. 0. 0.
511
52 1.24926 -0.870237 -0.89 1.24926 -0.870237 0.89 -1.24924 -0.870237 -0.89 1. 0. 0.
531
54 1.24926 -0.870237 -0.89 1.24926 -0.870237 0.89 2.13922 0.388414 0 1. 0. 0.
559
56# terminating special property
57# current virtual sphere
588
59 25.0 0.6 -1.0 -1.0 -1.0 0.2 0 0 0 0
602
61 1.54591 -0.450686 -4.44089e-16 5 1 0 0
629
63 terminating special property
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