Changeset 73faf4 for tests/regression/Options
- Timestamp:
- May 8, 2017, 2:00:47 PM (9 years ago)
- Branches:
- ForceAnnealing_goodresults, ForceAnnealing_tocheck
- Children:
- c8165c
- Parents:
- ce254c (diff), cb6357 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the(diff)links above to see all the changes relative to each parent. - Location:
- tests/regression/Options
- Files:
-
- 4 edited
-
DryRun/post/session.py (modified) (1 diff)
-
DryRun/testsuite-options-dryrun-storesession.at (modified) (1 diff)
-
Session/post/complextest.py (modified) (1 diff)
-
Session/pre/complextest.py (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Options/DryRun/post/session.py
rce254c r73faf4 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
rce254c r73faf4 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]) -
tests/regression/Options/Session/post/complextest.py
rce254c r73faf4 9 9 pyMoleCuilder.GraphSubgraphDissection() 10 10 pyMoleCuilder.SelectionMoleculeOfAtom() 11 pyMoleCuilder.FillRegularGrid("3 3 3", " 0.5,0.5,0.5", "1", "0", "0", "0", "0")11 pyMoleCuilder.FillRegularGrid("3 3 3", ".5,.5,.5", "1", "0", "0", "0", "0") 12 12 pyMoleCuilder.CommandVersion() 13 13 # =========================== Stored Session END =========================== -
tests/regression/Options/Session/pre/complextest.py
rce254c r73faf4 9 9 pyMoleCuilder.GraphSubgraphDissection() 10 10 pyMoleCuilder.SelectionMoleculeOfAtom() 11 pyMoleCuilder.FillRegularGrid("3 3 3", " 0.5,0.5,0.5", "1", "0", "0", "0", "0")11 pyMoleCuilder.FillRegularGrid("3 3 3", ".5,.5,.5", "1", "0", "0", "0", "0") 12 12 pyMoleCuilder.CommandVersion() 13 13 # =========================== Stored Session END ===========================
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