Ignore:
Timestamp:
Aug 28, 2010, 12:57:56 AM (14 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, 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:
966e12
Parents:
53d01c
git-author:
Frederik Heber <heber@…> (08/26/10 21:05:34)
git-committer:
Frederik Heber <heber@…> (08/28/10 00:57:56)
Message:

All Actions are converted to the new macro framework.

  • included all three values that have been used to create or convert the files
    • createdef.sh
    • createCpp.sh
    • createHeader.sh
File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/AtomAction/TranslateAction.cpp

    r53d01c r1fd675  
    2020#include "Helpers/MemDebug.hpp"
    2121
    22 #include "Actions/AtomAction/TranslateAction.hpp"
    23 #include "Actions/ActionRegistry.hpp"
    2422#include "Helpers/Log.hpp"
    2523#include "atom.hpp"
     
    3432using namespace std;
    3533
    36 #include "UIElements/UIFactory.hpp"
    37 #include "UIElements/Dialog.hpp"
    38 #include "Actions/ValueStorage.hpp"
     34#include "Actions/AtomAction/TranslateAction.hpp"
    3935
    40 /****** AtomTranslateAction *****/
    41 
    42 // memento to remember the state when undoing
    43 
    44 class AtomTranslateState : public ActionState {
    45 public:
    46   AtomTranslateState(const std::vector<atom*> &_selectedAtoms, const Vector &_v, const bool _periodic) :
    47     selectedAtoms(_selectedAtoms),
    48     v(_v),
    49     periodic(_periodic)
    50   {}
    51   std::vector<atom*> selectedAtoms;
    52   Vector v;
    53   bool periodic;
    54 };
    55 
    56 const char AtomTranslateAction::NAME[] = "translate-atoms";
    57 
    58 AtomTranslateAction::AtomTranslateAction() :
    59   Action(NAME)
    60 {}
    61 
    62 AtomTranslateAction::~AtomTranslateAction()
    63 {}
    64 
    65 void AtomTranslate(Vector &x, bool periodic = false) {
    66   ValueStorage::getInstance().setCurrentValue(AtomTranslateAction::NAME, x);
    67   ValueStorage::getInstance().setCurrentValue("periodic", periodic);
    68   ActionRegistry::getInstance().getActionByName(AtomTranslateAction::NAME)->call(Action::NonInteractive);
    69 };
    70 
    71 void AtomTranslateAction::getParametersfromValueStorage()
    72 {};
    73 
    74 Dialog* AtomTranslateAction::fillDialog(Dialog *dialog) {
    75   ASSERT(dialog,"No Dialog given when filling action dialog");
    76 
    77   dialog->queryVector(NAME, false, ValueStorage::getInstance().getDescription(NAME));
    78   dialog->queryBoolean("periodic", ValueStorage::getInstance().getDescription("periodic"));
    79 
    80   return dialog;
    81 }
    82 
     36// and construct the stuff
     37#include "TranslateAction.def"
     38#include "Action_impl_pre.hpp"
     39/** =========== define the function ====================== */
    8340Action::state_ptr AtomTranslateAction::performCall() {
    84   Vector v;
    85   bool periodic = false;
    8641  Box &domain = World::getInstance().getDomain();
    8742  std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms();
    8843
    89   ValueStorage::getInstance().queryCurrentValue(NAME, v);
    90   if (!ValueStorage::getInstance().queryCurrentValue("periodic", periodic, true))
    91     periodic = false;
     44  // obtain information
     45  getParametersfromValueStorage();
    9246
    9347  // TODO: use AtomSet::translate
    9448  for (std::vector<atom *>::iterator iter = selectedAtoms.begin(); iter != selectedAtoms.end(); ++iter) {
    95     *(*iter) += v;
    96     if (periodic)
     49    *(*iter) += params.x;
     50    if (params.periodic)
    9751      (*iter)->setPosition(domain.WrapPeriodically((*iter)->getPosition()));
    9852  }
    9953
    100   return Action::state_ptr(new AtomTranslateState(selectedAtoms, v, periodic));
     54  return Action::state_ptr(new AtomTranslateState(selectedAtoms, params));
    10155}
    10256
     
    10660
    10761  for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) {
    108     *(*iter) -= state->v;
    109     if (state->periodic)
     62    *(*iter) -= state->params.x;
     63    if (state->params.periodic)
    11064      (*iter)->setPosition(domain.WrapPeriodically((*iter)->getPosition()));
    11165  }
     
    11973
    12074  for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) {
    121     *(*iter) += state->v;
    122     if (state->periodic)
     75    *(*iter) += state->params.x;
     76    if (state->params.periodic)
    12377      (*iter)->setPosition(domain.WrapPeriodically((*iter)->getPosition()));
    12478  }
     
    13892  return NAME;
    13993}
     94/** =========== end of function ====================== */
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