Changeset 557b39
- Timestamp:
- May 8, 2017, 1:51:00 PM (8 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, 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, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes
- Children:
- 23ad4f
- Parents:
- 4a38b9
- git-author:
- Frederik Heber <heber@…> (04/05/17 19:02:36)
- git-committer:
- Frederik Heber <frederik.heber@…> (05/08/17 13:51:00)
- Files:
-
- 2 added
- 4 edited
Legend:
- Unmodified
- Added
- Removed
-
configure.ac
r4a38b9 r557b39 25 25 26 26 dnl Check if we have enable python 27 # python module 27 # python module- 28 28 AC_MSG_CHECKING(whether to enable python module) 29 29 AC_ARG_ENABLE( … … 565 565 AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder]) 566 566 AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher]) 567 AC_CONFIG_FILES([tests/regression/difffragmentresultcontainer], [chmod +x tests/regression/difffragmentresultcontainer]) 567 568 AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher]) 568 569 AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython]) -
src/Actions/FragmentationAction/ParseFragmentResultsAction.cpp
r4a38b9 r557b39 128 128 assert_cast<FragmentationParseFragmentResultsState*>(_state.get()); 129 129 130 FragmentationResultContainer::purgeInstance(); 130 131 FragmentationResultContainer& container = FragmentationResultContainer::getInstance(); 131 132 std::stringstream contents(state->streamed_container); -
tests/regression/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at
r4a38b9 r557b39 31 31 AT_CHECK([../../molecuilder --parse-fragment-results results.dat --save-fragment-results $file], 0, [ignore], [ignore]) 32 32 # we ignore white space changes (also missing new line on end of last line) 33 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [34 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [35 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])33 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [ 34 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [ 35 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore]) 36 36 ]) 37 37 ]) … … 41 41 42 42 AT_CHECK([../../molecuilder --parse-fragment-results $file --save-fragment-results $newfile], 0, [ignore], [ignore]) 43 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [44 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [45 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])43 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [ 44 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [ 45 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore]) 46 46 ]) 47 47 ]) … … 57 57 AT_CHECK([../../molecuilder --parse-fragment-results results.dat --undo --save-fragment-results $emptyfile], 0, [ignore], [ignore]) 58 58 # we ignore white space changes (also missing new line on end of last line) 59 AT_CHECK([ diff -Z$emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_enabled.dat], 0, [ignore], [ignore], [60 AT_CHECK([ diff -Z$emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_disabled.dat], 0, [ignore], [ignore], [61 AT_CHECK([ diff -Z$emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_jobmarkt_disabled.dat], 0, [ignore], [ignore])59 AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_enabled.dat], 0, [ignore], [ignore], [ 60 AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_disabled.dat], 0, [ignore], [ignore], [ 61 AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_jobmarkt_disabled.dat], 0, [ignore], [ignore]) 62 62 ]) 63 63 ]) … … 73 73 AT_CHECK([../../molecuilder --parse-fragment-results results.dat --undo --redo --save-fragment-results $file], 0, [ignore], [ignore]) 74 74 # we ignore white space changes (also missing new line on end of last line) 75 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [76 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [77 AT_CHECK([ diff -Z$file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])75 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [ 76 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [ 77 AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore]) 78 78 ]) 79 79 ]) -
tests/regression/Makefile.am
r4a38b9 r557b39 28 28 29 29 DISTCLEANFILES = atconfig 30 31 check_PROGRAMS = DiffFragmentResultContainer 32 noinst_PROGRAMS = DiffFragmentResultContainer 33 34 DiffFragmentResultContainer_SOURCES = \ 35 DiffFragmentResultContainer.cpp 36 DiffFragmentResultContainer_CPPFLAGS = \ 37 -I$(top_srcdir)/src \ 38 -I$(top_srcdir)/ThirdParty/LinearAlgebra/src \ 39 ${BOOST_CPPFLAGS} \ 40 ${JobMarket_CFLAGS} \ 41 ${CodePatterns_CFLAGS} 42 DiffFragmentResultContainer_LDFLAGS = -ldl ${BOOST_LDFLAGS} ${CodePatterns_LDFLAGS} ${JobMarket_LDFLAGS} 43 DiffFragmentResultContainer_LDADD = \ 44 $(top_builddir)/src/libMolecuilder.la \ 45 $(top_builddir)/src/libMolecuilderFragmentationSummation.la \ 46 $(top_builddir)/src/libMolecuilderFragmentation_KeysetsContainer.la \ 47 $(top_builddir)/src/libMolecuilderHelpers.la \ 48 ${CodePatterns_LIBS} \ 49 $(BOOST_SERIALIZATION_LIBS) \ 50 $(BOOST_FILESYSTEM_LIBS) \ 51 $(BOOST_SYSTEM_LIBS) 30 52 31 53 TESTSCRIPTS =
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