source: molecuilder/tests/regression/Fragmentation/3/pre/BondFragment0.conf.xyz@ 70e11d

Last change on this file since 70e11d 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: 187 bytes
Line 
15
2 Created by molecuilder on Tue Oct 6 19:01:29 2009
3C 9.78209 3.27519 3.53589
4H 9.78209 2.64589 2.64589
5H 9.78209 2.64589 4.42589
6H 8.89211 3.9045 3.53589
7H 10.672 3.90454 3.53589
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