Changeset 987145 for src/Actions


Ignore:
Timestamp:
Jun 19, 2017, 8:24:16 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, 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
Children:
467b2b
Parents:
97c364
git-author:
Frederik Heber <heber@…> (03/28/17 09:33:11)
git-committer:
Frederik Heber <frederik.heber@…> (06/19/17 08:24:16)
Message:

Added four GeometryActions to convert atom positions into vectors.

  • added reverse switch to distance and plane to vector Actions.
  • InputToVector has coordinates to differentiate from position option. This eases use with CommandLineParser where option names need to be unique.
Location:
src/Actions
Files:
12 added
2 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/GlobalListOfActions.hpp

    r97c364 r987145  
    6969  (FragmentationStoreSaturatedFragment) \
    7070  (FragmentationStructuralOptimization) \
     71  (GeometryDistanceToVector) \
     72  (GeometryInputToVector) \
     73  (GeometryPlaneToVector) \
     74  (GeometryPositionToVector) \
    7175  (GraphUpdateMolecules) \
    7276  (GraphCorrectBondDegree) \
  • src/Actions/Makefile.am

    r97c364 r987145  
    6464  ${FILLACTIONSOURCE} \
    6565  ${FRAGMENTATIONACTIONSOURCE} \
     66  ${GEOMETRYACTIONSOURCE} \
    6667  ${GRAPHACTIONSOURCE} \
    6768  ${MOLECULEACTIONSOURCE} \
     
    8485  ${FILLACTIONHEADER} \
    8586  ${FRAGMENTATIONACTIONHEADER} \
     87  ${GEOMETRYACTIONHEADER} \
    8688  ${GRAPHACTIONHEADER} \
    8789  ${MOLECULEACTIONHEADER} \
     
    104106  ${FILLACTIONDEFS} \
    105107  ${FRAGMENTATIONACTIONDEFS} \
     108  ${GEOMETRYACTIONDEFS} \
    106109  ${GRAPHACTIONDEFS} \
    107110  ${MOLECULEACTIONDEFS} \
     
    285288  Actions/FragmentationAction/StoreSaturatedFragmentAction.def \
    286289  Actions/FragmentationAction/StructuralOptimizationAction.def
     290
     291GEOMETRYACTIONSOURCE = \
     292        Actions/GeometryAction/GeometryDistanceToVectorAction.cpp \
     293        Actions/GeometryAction/GeometryInputToVectorAction.cpp \
     294        Actions/GeometryAction/GeometryPlaneToVectorAction.cpp \
     295        Actions/GeometryAction/GeometryPositionToVectorAction.cpp
     296GEOMETRYACTIONHEADER = \
     297        Actions/GeometryAction/GeometryDistanceToVectorAction.hpp \
     298        Actions/GeometryAction/GeometryInputToVectorAction.hpp \
     299        Actions/GeometryAction/GeometryPlaneToVectorAction.hpp \
     300        Actions/GeometryAction/GeometryPositionToVectorAction.hpp
     301GEOMETRYACTIONDEFS = \
     302        Actions/GeometryAction/GeometryDistanceToVectorAction.def \
     303        Actions/GeometryAction/GeometryInputToVectorAction.def \
     304        Actions/GeometryAction/GeometryPlaneToVectorAction.def \
     305        Actions/GeometryAction/GeometryPositionToVectorAction.def
    287306
    288307GRAPHACTIONSOURCE = \
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