source: src/Actions/CommandAction/ElementDbAction.cpp@ d8821e

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 d8821e was d8821e, checked in by Frederik Heber <heber@…>, 11 years ago

Merge branch 'Fragmentation_Automation_wo_JobMarket' into stable

Conflicts:

src/Actions/ActionQueue.cpp
src/Actions/FragmentationAction/FragmentationAction.cpp
src/Actions/PotentialAction/FitParticleChargesAction.cpp

  • Property mode set to 100644
File size: 4.0 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * ElementDbAction.cpp
25 *
26 * Created on: May 9, 2010
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35// include headers that implement a archive in simple text format
36#include <boost/archive/text_oarchive.hpp>
37#include <boost/archive/text_iarchive.hpp>
38
39#include "CodePatterns/MemDebug.hpp"
40
41#include "config.hpp"
42#include "Element/element.hpp" // we need element because of serialization!
43#include "Element/ion.hpp" // we need element because of serialization!
44#include "Element/periodentafel.hpp"
45#include "CodePatterns/Log.hpp"
46#include "CodePatterns/Verbose.hpp"
47#include "World.hpp"
48
49#include <string>
50
51#include "Actions/CommandAction/ElementDbAction.hpp"
52
53using namespace MoleCuilder;
54
55// and construct the stuff
56#include "ElementDbAction.def"
57#include "Actions/Action_impl_pre.hpp"
58
59/** =========== define the function ====================== */
60ActionState::ptr CommandElementDbAction::performCall() {
61 std::ostringstream usage;
62
63 periodentafel *&periode = World::getInstance().getPeriode();
64
65 // create undo state
66 std::stringstream undostream;
67 boost::archive::text_oarchive oa(undostream);
68 oa << periode;
69 CommandElementDbState *UndoState =
70 new CommandElementDbState(
71 undostream.str(),
72 params
73 );
74
75 // get the path
76 // TODO: Make databasepath a std::string
77 config *configuration = World::getInstance().getConfig();
78 strcpy(configuration->databasepath, params.databasepath.get().branch_path().string().c_str());
79
80 // load table
81 periode->CleanupPeriodtable();
82 if (periode->LoadPeriodentafel(configuration->databasepath)) {
83 STATUS("Element list loaded successfully.");
84 //periode->Output();
85 return ActionState::ptr(UndoState);
86 } else {
87 STATUS("Element list loading failed.");
88 delete UndoState;
89 return Action::failure;
90 }
91}
92
93ActionState::ptr CommandElementDbAction::performUndo(ActionState::ptr _state) {
94 CommandElementDbState *state = assert_cast<CommandElementDbState*>(_state.get());
95
96 periodentafel *periode;
97
98 std::stringstream undostream(state->undostring);
99 boost::archive::text_iarchive ia(undostream);
100 ia >> periode;
101
102 delete World::getInstance().getPeriode();
103 World::getInstance().getPeriode() = periode;
104
105 return ActionState::ptr(_state);
106}
107
108ActionState::ptr CommandElementDbAction::performRedo(ActionState::ptr _state){
109 CommandElementDbState *state = assert_cast<CommandElementDbState*>(_state.get());
110
111 // get the path
112 // TODO: Make databasepath a std::string
113 config *configuration = World::getInstance().getConfig();
114 strcpy(configuration->databasepath, state->params.databasepath.get().branch_path().string().c_str());
115
116 // load table
117 periodentafel *&periode = World::getInstance().getPeriode();
118 periode->CleanupPeriodtable();
119 if (periode->LoadPeriodentafel(configuration->databasepath)) {
120 STATUS("Redoing Element list loaded successfully.");
121 //periode->Output();
122 return ActionState::ptr(_state);
123 } else {
124 STATUS("Redoing Element list loading failed.");
125 return Action::failure;
126 }
127}
128
129bool CommandElementDbAction::canUndo() {
130 return true;
131}
132
133bool CommandElementDbAction::shouldUndo() {
134 return true;
135}
136/** =========== end of function ====================== */
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