source: src/Actions/Action.cpp@ eb0d77

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 eb0d77 was 5ca6b5, checked in by Michael Ankele <ankele@…>, 13 years ago

drop deprecated references to ValueStorage

  • Property mode set to 100644
File size: 6.6 KB
RevLine 
[bcf653]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[bcf653]5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
[65b6e0]8/*
9 * Action.cpp
10 *
11 * Created on: Dec 8, 2009
12 * Author: crueger
13 */
14
[bf3817]15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
[ad011c]20#include "CodePatterns/MemDebug.hpp"
[112b09]21
[df32ee]22#include <iostream>
[e4b2f6]23#include <sstream>
[cc04b7]24#include <string>
[65b6e0]25
[cc04b7]26#include "Actions/Action.hpp"
[e69c87]27#include "Actions/ActionExceptions.hpp"
[cc04b7]28#include "Actions/ActionRegistry.hpp"
[d56640]29#include "Actions/ActionHistory.hpp"
[e4afb4]30#include "Actions/OptionRegistry.hpp"
31#include "Actions/OptionTrait.hpp"
[4e145c]32#include "UIElements/Dialog.hpp"
[ad011c]33#include "CodePatterns/Assert.hpp"
34#include "CodePatterns/MemDebug.hpp"
[047878]35#include "UIElements/UIFactory.hpp"
[cc04b7]36
[ad011c]37#include "CodePatterns/Log.hpp"
38#include "CodePatterns/Verbose.hpp"
[4e145c]39
[ce7fdc]40using namespace MoleCuilder;
[cc04b7]41
[6d6b54]42Action::state_ptr getEmptyState() {
43 return Action::state_ptr(Memory::ignore(new ActionState()));
44}
45
[dfef3f]46void Action::removeStaticStateEntities()
47{
48 Action::success.reset();
49 Action::failure.reset();
50}
51
52void Action::createStaticStateEntities()
53{
54 Action::success = getEmptyState();
55 Action::failure = getEmptyState();
56}
57
58// An empty state to indicate success, these are (de)initialized by ActionHistory
59Action::state_ptr Action::success;
60Action::state_ptr Action::failure;
[67e2b3]61
[3139b2]62Action::Action(const ActionTrait &_Traits, bool _doRegister) :
[e4afb4]63 Traits(_Traits)
[cc04b7]64{
[e4afb4]65 // register with ActionRegistry
[cc04b7]66 if(_doRegister){
[b2d8d0]67 ActionRegistry::getInstance().registerInstance(this);
[cc04b7]68 }
[e4afb4]69
70 // register with OptionRegistry
[3139b2]71 for (ActionTrait::options_const_iterator optioniter = Traits.getBeginIter();
[e4afb4]72 optioniter != Traits.getEndIter();
73 ++optioniter) {
74 // options may have been re-used by other Actions, so check beforehand whether adding is needed
75 if (!OptionRegistry::getInstance().isOptionPresentByName((optioniter->first))) {
76 OptionRegistry::getInstance().registerInstance(optioniter->second);
77 } else { // if present, ASSERT that types coincide
[b2ae3b]78#ifndef NDEBUG
[e4afb4]79 OptionTrait const * const PresentOption = OptionRegistry::getInstance().getOptionByName(optioniter->first);
[b2ae3b]80#endif
[e4afb4]81 ASSERT(PresentOption->getType() == optioniter->second->getType(),
82 ("Action::Action() - option to add "+
83 std::string(optioniter->first)+
84 " of Action "+
85 std::string(getName())+
[23d7ff]86 " is already present with different type: "
87 +toString(PresentOption->getType())+" != "+toString(optioniter->second->getType())
88 )
89 );
90 ASSERT(PresentOption->getDefaultValue() == optioniter->second->getDefaultValue(),
91 ("Action::Action() - option to add "+
92 std::string(optioniter->first)+
93 " of Action "+
94 std::string(getName())+
95 " is already present with different default value: "
96 +PresentOption->getDefaultValue()+" != "+optioniter->second->getDefaultValue()
97 )
98 );
99 ASSERT(PresentOption->getShortForm() == optioniter->second->getShortForm(),
100 ("Action::Action() - option to add "+
101 std::string(optioniter->first)+
102 " of Action "+
103 std::string(getName())+
104 " is already present with different short form: "
105 +PresentOption->getShortForm()+" != "+optioniter->second->getShortForm()
[e4afb4]106 )
107 );
108 }
109 }
[cc04b7]110}
[65b6e0]111
112Action::~Action()
[d44d7b]113{
114 // unregister us if still registered
115 if(ActionRegistry::getInstance().isActionPresentByName(getName()))
116 if (ActionRegistry::getInstance().getActionByName(getName()) == this)
117 ActionRegistry::getInstance().unregisterInstance(this);
118
[3139b2]119 for (ActionTrait::options_const_iterator optioniter = Traits.getBeginIter();
[d44d7b]120 optioniter != Traits.getEndIter();
121 ++optioniter) {
122 // unregister option if still registered
123 if(OptionRegistry::getInstance().isOptionPresentByName((optioniter->first)))
124 if (OptionRegistry::getInstance().getOptionByName((optioniter->first)) == optioniter->second) {
125 OptionRegistry::getInstance().unregisterInstance(optioniter->second);
126 }
127 }
128}
[cc04b7]129
[13799e]130const string Action::getName() const
131{
[e4afb4]132 return Traits.getName();
[cc04b7]133}
[67e2b3]134
[e4b2f6]135const std::string Action::help() const
136{
137 std::stringstream outputstream;
138 outputstream << "Description for Action '" << getName() << "': " << Traits.getDescription()
139 << std::endl;
140 if (!Traits.hasOption(getName())) {
141 outputstream << "\tNote that this Action does not take an argument." << std::endl;
142 }
143 outputstream << "Options available for action '" << getName() << "':" << std::endl;
[3139b2]144 for (ActionTrait::options_const_iterator iter = Traits.getBeginIter();
[e4b2f6]145 iter != Traits.getEndIter();
146 ++iter) {
147 outputstream << "Option '" << iter->first << "':" << std::endl;
148 outputstream << "\tDescription: " << iter->second->getDescription() << "." << std::endl;
149 outputstream << "\tArgument's type: " << iter->second->getTypeName() << "." << std::endl;
150 outputstream << "\tDefault value: ";
151 if (iter->second->hasDefaultValue()) {
152 outputstream << "Yes, is '" << iter->second->getDefaultValue() << "'";
153 } else {
154 outputstream << "None";
155 }
156 outputstream << "." << std::endl;
157 }
158
159 return outputstream.str();
160}
161
[047878]162Dialog * Action::createDialog(){
163 Dialog *dialog = UIFactory::getInstance().makeDialog();
164 return fillDialog(dialog);
165}
166
[4e145c]167void Action::call(enum QueryOptions flag){
[2efa90]168 if(!isActive()){
169 return;
170 }
[67e2b3]171 // forward to private virtual
[4e145c]172 if (flag == Interactive) {
173 Dialog* dialog = createDialog();
[031f62]174 if (dialog->hasQueries()) {
[95f965]175 if (!dialog->display())
176 // dialog error or aborted -> throw exception
177 throw ActionFailureException() << ActionNameString(getName());
[4e145c]178 }
[031f62]179 delete(dialog);
[4e145c]180 }
181 state_ptr state = Action::failure;
[e2f3114]182// try {
[862b6a]183 startTimer();
[4e145c]184 state = performCall();
[862b6a]185 endTimer();
[e2f3114]186// } catch(MissingValueException&) {
[47d041]187// ELOG(0, "There is a value missing for action " << getName());
[e2f3114]188// };
[4e145c]189
[d56640]190 if(shouldUndo() && state != failure){
191 if(canUndo()){
192 ActionHistory::getInstance().addElement(this,state);
193 }
194 else{
195 ActionHistory::getInstance().clear();
196 }
197 }
[e69c87]198
199 // throw an exception that can be caught in case of failure
200 if (state == Action::failure)
201 throw ActionFailureException() << ActionNameString(getName());
[67e2b3]202}
[5b0b98]203Action::state_ptr Action::undo(state_ptr _state) {
[67e2b3]204 // forward to private virtual
205 return performUndo(_state);
206}
[5b0b98]207Action::state_ptr Action::redo(state_ptr _state) {
[67e2b3]208 // forward to private virtual
209 return performRedo(_state);
210}
[f9352d]211
212
213bool Action::isActive(){
214 return true;
215}
[df32ee]216
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