Changeset 836972


Ignore:
Timestamp:
Jun 19, 2017, 8:24:17 AM (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, 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, stable
Children:
5776cb
Parents:
fd4e8c
git-author:
Frederik Heber <heber@…> (03/31/17 09:03:46)
git-committer:
Frederik Heber <frederik.heber@…> (06/19/17 08:24:17)
Message:

Added GeometryRemoveAction.

  • TESTS: Also added regression test.
Files:
6 added
6 edited

Legend:

Unmodified
Added
Removed

  • doc/userguide/userguide.xml

    rfd4e8c r836972  
    822822          from then on.</para>
    823823        </section>
     824        <section xml:id="geometry.remove-geometry">
     825          <title xml:id="geometry.remove-geometry.title">Remove A stored vector</title>
     826          <para>Finally, a stored vector can also be removed.</para>
     827          <programlisting>
     828  ... --remove-geometry &quot;vector_O1&quot; \
     829          </programlisting>
     830          <para>this removes  the stored &quot;vector_O1&quot;.</para>
     831        </section>
    824832      </section>
    825833      <section xml:id="randomization">

  • src/Actions/GlobalListOfActions.hpp

    rfd4e8c r836972  
    7373  (GeometryPlaneToVector) \
    7474  (GeometryPositionToVector) \
     75  (GeometryRemove) \
    7576  (GraphUpdateMolecules) \
    7677  (GraphCorrectBondDegree) \

  • src/Actions/Makefile.am

    rfd4e8c r836972  
    293293        Actions/GeometryAction/GeometryInputToVectorAction.cpp \
    294294        Actions/GeometryAction/GeometryPlaneToVectorAction.cpp \
    295         Actions/GeometryAction/GeometryPositionToVectorAction.cpp
     295        Actions/GeometryAction/GeometryPositionToVectorAction.cpp \
     296        Actions/GeometryAction/GeometryRemoveAction.cpp
    296297GEOMETRYACTIONHEADER = \
    297298        Actions/GeometryAction/GeometryDistanceToVectorAction.hpp \
    298299        Actions/GeometryAction/GeometryInputToVectorAction.hpp \
    299300        Actions/GeometryAction/GeometryPlaneToVectorAction.hpp \
    300         Actions/GeometryAction/GeometryPositionToVectorAction.hpp
     301        Actions/GeometryAction/GeometryPositionToVectorAction.hpp \
     302        Actions/GeometryAction/GeometryRemoveAction.hpp
    301303GEOMETRYACTIONDEFS = \
    302304        Actions/GeometryAction/GeometryDistanceToVectorAction.def \
    303305        Actions/GeometryAction/GeometryInputToVectorAction.def \
    304306        Actions/GeometryAction/GeometryPlaneToVectorAction.def \
    305         Actions/GeometryAction/GeometryPositionToVectorAction.def
     307        Actions/GeometryAction/GeometryPositionToVectorAction.def \
     308        Actions/GeometryAction/GeometryRemoveAction.def
    306309
    307310GRAPHACTIONSOURCE = \

  • tests/Python/AllActions/options.dat

    rfd4e8c r836972  
    162162random-number-distribution-parameters   "max=20;"
    163163random-number-engine-parameters "seed=2;"
     164remove-geometry "named_vector"
    164165repeat-box      "1 1 1"
    165166reset   1

  • tests/regression/Geometry/testsuite-geometry.at

    rfd4e8c r836972  
    3232# Input to Vector
    3333m4_include([Geometry/InputToVector/testsuite-geometry-input-to-vector.at])
     34
     35# Remove
     36m4_include([Geometry/Remove/testsuite-geometry-remove.at])

  • tests/regression/Makefile.am

    rfd4e8c r836972  
    125125        $(srcdir)/Geometry/PlaneToVector/testsuite-geometry-plane-to-vector.at \
    126126        $(srcdir)/Geometry/PositionToVector/testsuite-geometry-position-to-vector.at \
     127        $(srcdir)/Geometry/Remove/testsuite-geometry-remove.at \
    127128        $(srcdir)/Graph/testsuite-graph.at \
    128129        $(srcdir)/Graph/CreateAdjacency/testsuite-graph-create-adjacency.at \
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