Changeset be848d for tests


Ignore:
Timestamp:
Jun 21, 2017, 10:02:14 PM (8 years ago)
Author:
Frederik Heber <frederik.heber@…>
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, Candidate_v1.7.0, 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, 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, stable
Children:
78ea3c
Parents:
9a9f847 (diff), 6116df (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.
Message:

Merge branch 'GeometryObjects' into Candidate_v1.6.1

Location:
tests
Files:
24 added
9 edited

Legend:

Unmodified
Added
Removed

  • tests/GuiChecks/Makefile.am

    r9a9f847 rbe848d  
    1212        $(srcdir)/./Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at \
    1313        $(srcdir)/./Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at \
     14        $(srcdir)/./Geometry/Remove/testsuite-geometry-remove.at \
     15        $(srcdir)/./Geometry/PositionToVector/testsuite-geometry-position-to-vector.at \
     16        $(srcdir)/./Geometry/DistanceToVector/testsuite-geometry-distance-to-vector.at \
     17        $(srcdir)/./Geometry/testsuite-geometry.at \
     18        $(srcdir)/./Geometry/testsuite-geometry-common.at \
     19        $(srcdir)/./Geometry/InputToVector/testsuite-geometry-input-to-vector.at \
     20        $(srcdir)/./Geometry/PlaneToVector/testsuite-geometry-plane-to-vector.at \
    1421        $(srcdir)/./Atoms/ChangeElement/testsuite-atoms-change-element.at \
    1522        $(srcdir)/./Atoms/Add/testsuite-atoms-add.at \

  • tests/GuiChecks/testsuite.at

    r9a9f847 rbe848d  
    3636m4_include(Options/testsuite-options.at)
    3737
     38m4_include(WorldTime/testsuite-worldtime.at)
     39
    3840m4_include(Parser/testsuite-parser.at)
    3941
    … …  
    4143
    4244m4_include(Bond/testsuite-bond.at)
     45
     46m4_include(Geometry/testsuite-geometry.at)
    4347
    4448m4_include(Selection/testsuite-selection.at)

  • tests/Python/AllActions/options.dat

    r9a9f847 rbe848d  
    4444convex-envelope "50."
    4545convex-file     "convexfile"
     46coordinates     "1,0,0"
    4647copy-molecule   "0"
    4748count   "12"
    … …  
    5859distance-to-molecule    "1.5"
    5960distance-to-molecule    "2.1"
     61distance-to-vector      "named_vector"
    6062domain-position "0.  0. 0."
    6163domain-position "0 0 0"
    … …  
    9294id-mapping      "1"
    9395input   "test.data"
     96input-to-vector "named_vector"
    9497inter-order     "2"
    9598interpolation-degree    "5"
    … …  
    141144periodic        "0"
    142145plane-offset    "5."
     146plane-to-vector "named_vector"
    143147position        "0 0 0"
    144148position        "0 0 1"
    … …  
    150154position        "7.283585982 3.275186040 3.535886037"
    151155position        "9.78 2.64 2.64"
     156position-to-vector      "named_vector"
    152157potential-charges       "1 1"
    153158potential-type  "morse"
    … …  
    157162random-number-distribution-parameters   "max=20;"
    158163random-number-engine-parameters "seed=2;"
     164remove-geometry "named_vector"
    159165repeat-box      "1 1 1"
    160166reset   1
     167reverse "0"
    161168rotate-around-origin    "180."
    162169rotate-around-origin    "20."

  • tests/regression/Makefile.am

    r9a9f847 rbe848d  
    119119        $(srcdir)/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at \
    120120        $(srcdir)/Fragmentation/StoreSaturatedFragment/testsuite-fragmentation-store-saturated-fragment.at \
     121        $(srcdir)/Geometry/testsuite-geometry.at \
     122        $(srcdir)/Geometry/testsuite-geometry-common.at \
     123        $(srcdir)/Geometry/DistanceToVector/testsuite-geometry-distance-to-vector.at \
     124        $(srcdir)/Geometry/InputToVector/testsuite-geometry-input-to-vector.at \
     125        $(srcdir)/Geometry/PlaneToVector/testsuite-geometry-plane-to-vector.at \
     126        $(srcdir)/Geometry/PositionToVector/testsuite-geometry-position-to-vector.at \
     127        $(srcdir)/Geometry/Remove/testsuite-geometry-remove.at \
    121128        $(srcdir)/Graph/testsuite-graph.at \
    122129        $(srcdir)/Graph/CreateAdjacency/testsuite-graph-create-adjacency.at \

  • tests/regression/Options/DryRun/post/session.py

    r9a9f847 rbe848d  
    55pyMoleCuilder.AtomAdd("1", "0,0,0")
    66pyMoleCuilder.SelectionAllAtoms()
    7 pyMoleCuilder.AtomTranslate("0,0,0", "0")
     7pyMoleCuilder.AtomTranslate("5,5,5", "0")
    88pyMoleCuilder.CommandNoDryRun()
    99# =========================== Stored Session END ===========================

  • tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at

    r9a9f847 rbe848d  
    2020AT_SETUP([Standard Options - dry run and store session])
    2121AT_KEYWORDS([options dry-run no-dry-run store-session])
     22AT_SKIP_IF([../../molecuilder --help store-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
    2223
    2324# sample session
    2425file="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])
     26AT_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])
    2627AT_CHECK([test -f $file], 0, [ignore], [ignore])
    2728AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Options/DryRun/post/$file], 0, [ignore], [ignore])

  • tests/regression/Options/Session/post/complextest.py

    r9a9f847 rbe848d  
    99pyMoleCuilder.GraphSubgraphDissection()
    1010pyMoleCuilder.SelectionMoleculeOfAtom()
    11 pyMoleCuilder.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0")
     11pyMoleCuilder.FillRegularGrid("3 3 3", ".5,.5,.5", "1", "0", "0", "0", "0")
    1212pyMoleCuilder.CommandVersion()
    1313# =========================== Stored Session END ===========================

  • tests/regression/Options/Session/pre/complextest.py

    r9a9f847 rbe848d  
    99pyMoleCuilder.GraphSubgraphDissection()
    1010pyMoleCuilder.SelectionMoleculeOfAtom()
    11 pyMoleCuilder.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0")
     11pyMoleCuilder.FillRegularGrid("3 3 3", ".5,.5,.5", "1", "0", "0", "0", "0")
    1212pyMoleCuilder.CommandVersion()
    1313# =========================== Stored Session END ===========================

  • tests/regression/testsuite.at

    r9a9f847 rbe848d  
    4444m4_include(Bond/testsuite-bond.at)
    4545
     46m4_include(Geometry/testsuite-geometry.at)
     47
    4648m4_include(Selection/testsuite-selection.at)
    4749
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