source: src/Actions/GraphAction/SubgraphDissectionAction.cpp@ 2affd1

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 2affd1 was 10aee4, checked in by Frederik Heber <heber@…>, 9 years ago

Cleaned up ActionQueue's interface: Actions are always cloned.

  • Action's dstor needs to be public as we have a clone() function.
  • ActionRegistrys' (and AQ's) getActionByName now returns const ref. We must not return a ptr as it may not get deleted elsewhere. We are handing out prototypes.
  • queueAction(action*,...) is private to prevent leakage, queueAction(string, ...) is the public interface.
  • some other small functions are now private, too.
  • MakroActions now need to clone() the prototype on prepare() and delete them on unprepare().
  • ActionSequence deletes contained actions.
  • FIX: ActionSequenceUnitTest cannot check on not-called property of removed actions anymore as these are gone now (they are deleted on removal and they are cloned on insertion).
  • DOCU: Updated documentation on Actions.
  • Property mode set to 100644
File size: 3.4 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2013 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * SubgraphDissectionAction.cpp
26 *
27 * Created on: Mar 1, 2013
28 * Author: heber
29 */
30
31// include config.h
32#ifdef HAVE_CONFIG_H
33#include <config.h>
34#endif
35
36#include "CodePatterns/MemDebug.hpp"
37
38#include "CodePatterns/Chronos.hpp"
39
40#include "Actions/GraphAction/CreateAdjacencyAction.hpp"
41#include "Actions/GraphAction/DestroyAdjacencyAction.hpp"
42#include "Actions/GraphAction/UpdateMoleculesAction.hpp"
43#include "Actions/GraphAction/SubgraphDissectionAction.hpp"
44#include "Actions/SelectionAction/Atoms/PushAtomsAction.hpp"
45#include "Actions/SelectionAction/Atoms/PopAtomsAction.hpp"
46#include "Actions/SelectionAction/Atoms/AllAtomsAction.hpp"
47#include "Actions/ActionQueue.hpp"
48#include "Actions/ActionRegistry.hpp"
49
50#include "Descriptors/AtomDescriptor.hpp"
51
52using namespace MoleCuilder;
53
54// and construct the stuff
55#include "SubgraphDissectionAction.def"
56#include "MakroAction_impl_pre.hpp"
57/** =========== define the function ====================== */
58
59// static instances
60ActionSequence GraphSubgraphDissectionAction::prototype_actions;
61bool GraphSubgraphDissectionAction::isPrepared = false;
62
63void GraphSubgraphDissectionAction::prepare(ActionRegistry &AR)
64{
65 prototype_actions.addAction(AR.getActionByName(std::string("push-atom-selection")).clone());
66 prototype_actions.addAction(AR.getActionByName(std::string("select-all-atoms")).clone());
67 prototype_actions.addAction(AR.getActionByName(std::string("destroy-adjacency")).clone());
68 prototype_actions.addAction(AR.getActionByName(std::string("create-adjacency")).clone());
69 prototype_actions.addAction(AR.getActionByName(std::string("update-molecules")).clone());
70 prototype_actions.addAction(AR.getActionByName(std::string("pop-atom-selection")).clone());
71 isPrepared = true;
72}
73
74void GraphSubgraphDissectionAction::unprepare(ActionRegistry &AR)
75{
76 // empty sequence
77 Action *actionremove = NULL;
78 while ((actionremove = prototype_actions.removeLastAction()) != NULL)
79 delete actionremove;
80 isPrepared = false;
81}
82
83ActionState::ptr GraphSubgraphDissectionAction::performCall(){
84 ActionState::ptr state(MakroAction::performCall());
85
86 return state;
87}
88
89ActionState::ptr GraphSubgraphDissectionAction::performUndo(ActionState::ptr _state) {
90 ActionState::ptr state(MakroAction::performUndo(_state));
91
92 return state;
93}
94
95ActionState::ptr GraphSubgraphDissectionAction::performRedo(ActionState::ptr _state){
96 ActionState::ptr state(MakroAction::performRedo(_state));
97
98 return state;
99}
100
101bool GraphSubgraphDissectionAction::canUndo(){
102 return true;
103}
104
105bool GraphSubgraphDissectionAction::shouldUndo(){
106 return true;
107}
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