Changeset 01a018
- Timestamp:
- May 8, 2017, 1:51:21 PM (8 years ago)
- Branches:
- ForceAnnealing_goodresults, ForceAnnealing_tocheck
- Children:
- 2315f3
- Parents:
- 7f3f9c
- git-author:
- Frederik Heber <heber@…> (03/31/17 20:54:52)
- git-committer:
- Frederik Heber <frederik.heber@…> (05/08/17 13:51:21)
- Location:
- tests/regression/Options/DryRun
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Options/DryRun/post/session.py
r7f3f9c r01a018 5 5 pyMoleCuilder.AtomAdd("1", "0,0,0") 6 6 pyMoleCuilder.SelectionAllAtoms() 7 pyMoleCuilder.AtomTranslate(" 0,0,0", "0")7 pyMoleCuilder.AtomTranslate("5,5,5", "0") 8 8 pyMoleCuilder.CommandNoDryRun() 9 9 # =========================== Stored Session END =========================== -
tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at
r7f3f9c r01a018 23 23 # sample session 24 24 file="session.py" 25 AT_CHECK([../../molecuilder --dry-run --input hydrogen.xyz --add-atom 1 --domain-position "0,0,0" --select-all-atoms --translate-atoms "5,5,5" --no-dry-run --store-session $file --session-type python], 0, [ignore], [ignore])25 AT_CHECK([../../molecuilder --dry-run --input hydrogen.xyz --add-atom 1 --domain-position "0,0,0" --select-all-atoms --translate-atoms --position "5,5,5" --no-dry-run --store-session $file --session-type python], 0, [ignore], [ignore]) 26 26 AT_CHECK([test -f $file], 0, [ignore], [ignore]) 27 27 AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Options/DryRun/post/$file], 0, [ignore], [ignore])
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