source: tests/Tesselations/NonConvex/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-4.dat@ 038ccd

AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision stable
Last change on this file since 038ccd was 33ee99, checked in by Frederik Heber <heber@…>, 11 years ago

TESTS: Extended Tesselations tests to convex case.

  • moved all present tests to NonConvex folder, added same set but including amylose in Convex folder.
  • Property mode set to 100644
File size: 502 bytes
RevLine 
[36eb4e]1TITLE = "3D CONVEX SHELL"
2VARIABLES = "X" "Y" "Z" "U"
[6a7f78c]3ZONE T="N_N-dimethylacetamide", N=11, E=18, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
[bdedb1]40 0.58 2.38 3
50.16 1.34 3.3 1
60.6164 -0.8635 0.1393 0
7-1.0292 -0.2927 0.0002 0
80.2393 0.4619 -0.9351 0
9-0.6555 -0.9539 3.6902 0
100.2242 -1.5274 2.2936 0
11-1.4232 -0.9712 2.1206 1
120.4218 2.999 1.5162 1
130.4063 2.5988 -0.1847 0
141.8297 2.2759 0.7759 0
[36eb4e]15
163 5 11
175 10 11
[bdedb1]183 7 11
192 7 11
202 6 7
212 9 11
[36eb4e]229 10 11
[bdedb1]233 4 5
243 4 8
[36eb4e]253 7 8
266 7 8
[bdedb1]274 5 10
284 9 10
294 8 9
[36eb4e]301 8 9
311 2 9
321 2 8
[bdedb1]332 6 8
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