source: tests/regression/Graph/CreateAdjacency/post/ethane.pdb@ d21933

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 Candidate_v1.7.0 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 Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since d21933 was 055ad7, checked in by Frederik Heber <heber@…>, 13 years ago

Added Undo/Redo functionality to CreateAdjacencyAction.

  • also added regression test on whole functionality.
  • Property mode set to 100644
File size: 1.3 KB
RevLine 
[055ad7]1REMARK created by molecuilder on Fri Mar 1 19:45:11 2013, time step 0
2ATOM 1 C01 0eth 01 3.125 10.442 10.000 0.00 0.00 C 0
3ATOM 2 C02 0eth 01 4.374 9.559 10.000 0.00 0.00 C 0
4ATOM 3 H01 0eth 01 3.125 11.071 9.110 0.00 0.00 H 0
5ATOM 4 H02 0eth 01 3.125 11.071 10.890 0.00 0.00 H 0
6ATOM 5 H03 0eth 01 4.374 8.929 9.110 0.00 0.00 H 0
7ATOM 6 H04 0eth 01 4.374 8.929 10.890 0.00 0.00 H 0
8ATOM 7 H05 0eth 01 2.235 9.813 10.000 0.00 0.00 H 0
9ATOM 8 H06 0eth 01 5.264 10.188 10.000 0.00 0.00 H 0
10CONECT 1 2 3 4 7
11CONECT 2 1 5 6 8
12CONECT 3 1
13CONECT 4 1
14CONECT 5 2
15CONECT 6 2
16CONECT 7 1
17CONECT 8 2
18END
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