source: molecuilder/tests/regression/Fragmentation/3/pre/BondFragment2.conf.xyz@ a4644b

Last change on this file since a4644b was a4644b, checked in by Frederik Heber <heber@…>, 16 years ago

Extended the testsuite to encompass the vital areas of molecuilder.

  • the vital areas are: simple geometry, Graph, fragmentation, tesselation
  • in molecuilder/tests a dir regression was added for each case with pre and post dirs. Pre contains files needed for the test, post contains results to compare to
  • builder.cpp: check for commands that need extra arguments that first arguments does not begin with '-' missing for many cases
  • Property mode set to 100644
File size: 189 bytes
Line 
15
2 Created by molecuilder on Tue Oct 6 19:01:29 2009
3C 7.28359 3.27519 3.53589
4H 8.17354 3.90454 3.53589
5H 6.39363 3.90454 3.53589
6H 7.28359 2.64589 2.64589
7H 7.28359 2.64589 4.42589
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