source: tests/regression/Graph/CreateAdjacency/post/ethane.pdb@ b10593

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
Last change on this file since b10593 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
Note: See TracBrowser for help on using the repository browser.