Changeset 73faf4 for tests/regression


Ignore:
Timestamp:
May 8, 2017, 2:00:47 PM (8 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
ForceAnnealing_goodresults, ForceAnnealing_tocheck
Children:
c8165c
Parents:
ce254c (diff), cb6357 (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/regression
Files:
17 added
6 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Makefile.am

    rce254c r73faf4  
    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

    rce254c r73faf4  
    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

    rce254c r73faf4  
    2323# sample session
    2424file="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])
     25AT_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])
    2626AT_CHECK([test -f $file], 0, [ignore], [ignore])
    2727AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Options/DryRun/post/$file], 0, [ignore], [ignore])

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

    rce254c r73faf4  
    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

    rce254c r73faf4  
    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

    rce254c r73faf4  
    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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