source: src/Actions/ManipulateAtomsProcess.hpp@ fae462

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
Last change on this file since fae462 was af5384, checked in by Frederik Heber <heber@…>, 11 years ago

Actions can now clone() and split off prepare() from call().

  • ActionQueue now separates call phase into clone(), prepare(), and call().
  • ActionQueue's dstor releases Actions in deque.
  • CurrentAction is an index as push_back always invalidates iterator.
  • ActionQueue_t is now a simple vector of ptrs.
  • call() is now non-interactive, (maybe) interactive part is placed in prepare() where dialogs are used to fill parameters.
  • only fully prepared Actions are placed in ActionQueue.
  • ActionQueue obtains action instances from Registry, copies, prepares them, and places them in the queue.
  • Action::clone() gets QueryOptions as param. This lets us either clone without params or really copy the instance.
  • If action is called as COMMAND, params have been filled already.
  • Reactions require a ActionQueue::getLastAction() to actually obtain result of (cloned) Action.
  • FIX: Calculation now has const has...() and getResult().
  • Property mode set to 100644
File size: 1.4 KB
Line 
1/*
2 * ManipulateAtomsProcess.hpp
3 *
4 * Created on: Feb 18, 2010
5 * Author: crueger
6 */
7
8#ifndef MANIPULATEATOMSPROCESS_HPP_
9#define MANIPULATEATOMSPROCESS_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
17#include "Actions/Process.hpp"
18
19#include<boost/function.hpp>
20
21#include "Descriptors/AtomDescriptor.hpp"
22
23class manipulateAtomsTest;
24class World;
25
26namespace MoleCuilder {
27
28class ActionRegistry;
29
30class ManipulateAtomsProcess : public Process
31{
32 friend class ::manipulateAtomsTest;
33public:
34 ManipulateAtomsProcess(boost::function<void(atom*)> _operation, AtomDescriptor descr,const ActionTrait &_trait);
35 virtual ~ManipulateAtomsProcess();
36
37 virtual bool canUndo();
38 virtual bool shouldUndo();
39
40 Action* clone(enum QueryOptions flag = Interactive) const;
41
42 void outputAsCLI(std::ostream &ost) const;
43 void outputAsPython(std::ostream &ost, const std::string &prefix) const;
44
45 virtual void doManipulate(World *);
46
47private:
48 /** Wrap function Action::call() to allow manipulateAtomsTest access.
49 *
50 */
51 void call()
52 { Process::call(); }
53
54protected:
55 virtual Dialog * fillDialog(Dialog*);
56private:
57 virtual ActionState::ptr performCall();
58 virtual ActionState::ptr performUndo(ActionState::ptr);
59 virtual ActionState::ptr performRedo(ActionState::ptr);
60
61 AtomDescriptor descr;
62 boost::function<void(atom*)> operation;
63};
64
65}
66
67#endif /* MANIPULATEATOMSPROCESS_HPP_ */
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