Changeset db1048
- Timestamp:
- Jun 19, 2017, 8:24:16 AM (8 years ago)
- Branches:
- 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
- Children:
- 6d78b6f
- Parents:
- 467b2b
- git-author:
- Frederik Heber <heber@…> (03/31/17 20:56:50)
- git-committer:
- Frederik Heber <frederik.heber@…> (06/19/17 08:24:16)
- Files:
-
- 8 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/Action_impl_pre.hpp
r467b2b rdb1048 173 173 output << \ 174 174 BOOST_PP_IF(n, ", ", "") \ 175 << "\"" << toPythonString(params. \175 << "\"" << params. \ 176 176 BOOST_PP_SEQ_ELEM(n, paramreferences) \ 177 .getUnvalidated() )\177 .getUnvalidated() \ 178 178 << "\""; 179 179 -
src/Actions/MakroAction_impl_pre.hpp
r467b2b rdb1048 165 165 output << \ 166 166 BOOST_PP_IF(n, ", ", "") \ 167 << "\"" << toPythonString(params. \167 << "\"" << params. \ 168 168 BOOST_PP_SEQ_ELEM(n, paramreferences) \ 169 .get ()) \169 .getUnvalidated() \ 170 170 << "\""; 171 171 -
src/Parameters/Value_impl.hpp
r467b2b rdb1048 22 22 #include "CodePatterns/Log.hpp" 23 23 24 #include "Actions/toPythonString.hpp" 24 25 #include "Validators/DummyValidator.hpp" 25 26 #include "Validators/DiscreteValidator.hpp" -
tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at
r467b2b rdb1048 20 20 AT_SETUP([Standard Options - dry run and store session]) 21 21 AT_KEYWORDS([options dry-run no-dry-run store-session]) 22 AT_SKIP_IF([../../molecuilder --help store-session; if test $? -eq 5; then /bin/true; else /bin/false; fi]) 23 AT_XFAIL_IF([/bin/true]) 22 24 23 25 # sample session -
tests/regression/Options/Session/post/complextest.py
r467b2b rdb1048 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
r467b2b rdb1048 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/testsuite-options-load-session-python.at
r467b2b rdb1048 35 35 AT_TESTED([python diff grep]) 36 36 AT_SKIP_IF([../../molecuilder --help load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi]) 37 AT_XFAIL_IF([/bin/true]) 37 38 38 39 # check that session is stored and can be executed when correctly prefixed -
tests/regression/Options/Session/testsuite-options-store-session-python.at
r467b2b rdb1048 35 35 AT_TESTED([python diff grep]) 36 36 AT_SKIP_IF([../../molecuilder --help load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi]) 37 AT_XFAIL_IF([/bin/true]) 37 38 38 39 # check that session is stored and can be executed when correctly prefixed
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