Changeset bd81f9 for tests


Ignore:
Timestamp:
Jul 11, 2012, 1:02:17 PM (13 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
Children:
8a4b88
Parents:
0174b62 (diff), 5ffa05 (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.
git-author:
Frederik Heber <heber@…> (07/11/12 10:53:51)
git-committer:
Frederik Heber <heber@…> (07/11/12 13:02:17)
Message:

Merge branch 'Candidate_v1.3.0' into stable

Conflicts:

src/Actions/unittests/stubs/DummyUI.hpp
src/UIElements/CommandLineUI/CommandLineDialog.cpp
src/UIElements/CommandLineUI/CommandLineDialog.hpp
src/UIElements/Dialog.cpp
src/UIElements/Dialog.hpp
src/UIElements/Makefile.am
src/UIElements/Qt4/QtDialog.cpp
src/UIElements/Qt4/QtDialog.hpp
src/UIElements/TextUI/TextDialog.cpp
src/UIElements/TextUI/TextDialog.hpp

Location:
tests
Files:
20 added
9 edited

Legend:

Unmodified
Added
Removed

  • tests/CodeChecks/Makefile.am

    r0174b62 rbd81f9  
    6060                echo 'm4_define([AT_PACKAGE_STRING],    [@PACKAGE_STRING@])' && \
    6161                echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
    62         } >'$(srcdir)/package.m4'
     62        } >'package.m4'

  • tests/CodeChecks/testsuite-globallistofactions_hpp.at

    r0174b62 rbd81f9  
    2323  if test $found -eq 0
    2424  then
    25     AT_CHECK([grep "(${actionname})" ${abs_top_srcdir}/src/Actions/GlobalListOfActions.hpp], 0, [stdout], [ignore])
     25    AT_CHECK([grep "${actionname}" ${abs_top_srcdir}/src/Actions/GlobalListOfActions.hpp], 0, [stdout], [ignore])
    2626  else
    2727    echo "excluded."

  • tests/Fragmentations/Makefile.am

    r0174b62 rbd81f9  
    88        joiner.in \
    99        molecuilder.in \
    10         $(srcdir)/package.m4 \
     10        package.m4 \
    1111        $(srcdir)/Analyzing/heptan \
    1212        $(srcdir)/Fragmenting/1_2-dimethoxyethane \
    … …  
    155155                echo 'm4_define([AT_PACKAGE_STRING],    [@PACKAGE_STRING@])' && \
    156156                echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
    157         } >'$(srcdir)/package.m4'
     157        } >'package.m4'

  • tests/Makefile.am

    r0174b62 rbd81f9  
    1111endif
    1212
     13if CONDJOBMARKET
     14SUBDIRS += JobMarket
     15endif

  • tests/Python/AllActions/options.dat

    r0174b62 rbd81f9  
    7070fill-void       "water.data"
    7171fill-void       "water.xyz"
     72fragment-executable     "mpqc"
     73fragment-jobs   "Job00.in"
    7274fragment-molecule       "./"
     75fragment-path   "test/"
    7376id-mapping      "1"
    7477input   "test.data"
    … …  
    161164select-molecules-by-formula     "H2O"
    162165select-molecules-by-name        "water"
     166server-address  "127.0.0.1"
     167server-port     "1026"
    163168set-boundary-conditions "Wrap, Wrap, Wrap"
    164169set-parser-parameters   "basis = 4-31G"

  • tests/Python/Makefile.am

    r0174b62 rbd81f9  
    55        $(TESTSUITE) \
    66        atlocal.in \
    7         $(srcdir)/package.m4 \
     7        package.m4 \
    88        AllActions \
    99        BoxMaker \
    … …  
    6868                echo 'm4_define([AT_PACKAGE_STRING],    [@PACKAGE_STRING@])' && \
    6969                echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
    70         } >'$(srcdir)/package.m4'
     70        } >'package.m4'

  • tests/Tesselations/Makefile.am

    r0174b62 rbd81f9  
    66        atlocal.in \
    77        molecuilder.in \
    8         $(srcdir)/package.m4 \
     8        package.m4 \
    99        $(srcdir)/1_2-dimethoxyethane \
    1010        $(srcdir)/1_2-dimethylbenzene \
    … …  
    8383                echo 'm4_define([AT_PACKAGE_STRING],    [@PACKAGE_STRING@])' && \
    8484                echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
    85         } >'$(srcdir)/package.m4'
     85        } >'package.m4'

  • tests/regression/Fragmentation/testsuite-fragmentation.at

    r0174b62 rbd81f9  
    1 AT_BANNER([MoleCuilder - Fragmentation and Re-fragmentation test])
     1AT_BANNER([MoleCuilder - fragmentation tests])
    22
    3 # fragment the molecule and check the number of configs
     3# check fragmentation
    44m4_include([Fragmentation/FragmentMolecule/testsuite-fragmentation-fragment-molecule.at])
    55

  • tests/regression/Makefile.am

    r0174b62 rbd81f9  
    66        atlocal.in \
    77        molecuilder.in \
    8         $(srcdir)/package.m4 \
     8        package.m4 \
    99        Analysis \
    1010        Atoms \
    … …  
    235235                echo 'm4_define([AT_PACKAGE_STRING],    [@PACKAGE_STRING@])' && \
    236236                echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
    237         } >'$(srcdir)/package.m4'
     237        } >'package.m4'
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