Action_Thermostats
Add_AtomRandomPerturbation
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 1ba51c was f79d65, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
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Vector(s) are now stored as strings in Querys intermediately.
- they get evaluated first after being stored in a Parameter/Value on request
via get().
- Needed to change all Vector(s)..Query's of all UIs and also the general base
classes inside Dialog.
- QtQueryList need to be specialized in order to allow a QtQueryList<Vector>
to actually store a vector of strings.
- we may use setAsString() in order to set the Parameter thankfully.
- TESTS: All regression tests on Geometry Actions are now working. Removed
XFAIL from Options/Session test that use Python, i.e. the ones we marked
four commits ago.
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-
Property mode
set to
100644
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File size:
1.4 KB
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| [f3db60] | 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2015 Frederik Heber
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| 18 | ### dry run
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| 19 |
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| 20 | AT_SETUP([Standard Options - dry run and store session])
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| 21 | AT_KEYWORDS([options dry-run no-dry-run store-session])
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| [db1048] | 22 | AT_SKIP_IF([../../molecuilder --help store-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
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| [f3db60] | 23 |
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| 24 | # sample session
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| 25 | file="session.py"
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| [d6d2129] | 26 | 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])
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| [f3db60] | 27 | AT_CHECK([test -f $file], 0, [ignore], [ignore])
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| 28 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Options/DryRun/post/$file], 0, [ignore], [ignore])
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| 29 |
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| 30 | AT_CLEANUP
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