source: src/Actions/MoleculeAction/BondFileAction.cpp@ 8f4df1

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 8f4df1 was 952f38, checked in by Frederik Heber <heber@…>, 14 years ago

created LibMolecuilderHelpers.

  • is shared
  • renamed log.[ch]pp -> Log.[ch]pp
  • renamed verbose.[ch]pp -> Verbose.[ch]pp
  • renamed info.[ch]pp -> Info.[ch]pp
  • contains: Assert, MemDebug, Log, logger, errorlogger, Verbose, Info
  • had to change includes practically everywhere.
  • Property mode set to 100644
File size: 2.6 KB
Line 
1/*
2 * BondFileAction.cpp
3 *
4 * Created on: May 10, 2010
5 * Author: heber
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "Actions/MoleculeAction/BondFileAction.hpp"
11#include "Actions/ActionRegistry.hpp"
12#include "Helpers/Log.hpp"
13#include "molecule.hpp"
14#include "Helpers/Verbose.hpp"
15#include "World.hpp"
16
17#include <iostream>
18#include <fstream>
19#include <string>
20
21using namespace std;
22
23#include "UIElements/UIFactory.hpp"
24#include "UIElements/Dialog.hpp"
25#include "Actions/ValueStorage.hpp"
26
27
28/****** MoleculeBondFileAction *****/
29
30// memento to remember the state when undoing
31
32//class MoleculeBondFileState : public ActionState {
33//public:
34// MoleculeBondFileState(molecule* _mol,std::string _lastName) :
35// mol(_mol),
36// lastName(_lastName)
37// {}
38// molecule* mol;
39// std::string lastName;
40//};
41
42const char MoleculeBondFileAction::NAME[] = "bond-file";
43
44MoleculeBondFileAction::MoleculeBondFileAction() :
45 Action(NAME)
46{}
47
48MoleculeBondFileAction::~MoleculeBondFileAction()
49{}
50
51void MoleculeBondFile(std::string &bondfile) {
52 ValueStorage::getInstance().setCurrentValue(MoleculeBondFileAction::NAME, bondfile);
53 ActionRegistry::getInstance().getActionByName(MoleculeBondFileAction::NAME)->call(Action::NonInteractive);
54};
55
56Dialog* MoleculeBondFileAction::fillDialog(Dialog *dialog) {
57 ASSERT(dialog,"No Dialog given when filling action dialog");
58
59 dialog->queryString(NAME, MapOfActions::getInstance().getDescription(NAME));
60
61 return dialog;
62}
63
64Action::state_ptr MoleculeBondFileAction::performCall() {
65 string filename;
66 molecule *mol = NULL;
67
68 ValueStorage::getInstance().queryCurrentValue(NAME, filename);
69
70 if(World::getInstance().countSelectedMolecules() == 1) {
71 mol = World::getInstance().beginMoleculeSelection()->second;
72 DoLog(0) && (Log() << Verbose(0) << "Parsing bonds from " << filename << "." << endl);
73 ifstream input(filename.c_str());
74 mol->CreateAdjacencyListFromDbondFile(&input);
75 input.close();
76 return Action::success;
77 } else
78 return Action::failure;
79}
80
81Action::state_ptr MoleculeBondFileAction::performUndo(Action::state_ptr _state) {
82// MoleculeBondFileState *state = assert_cast<MoleculeBondFileState*>(_state.get());
83
84// string newName = state->mol->getName();
85// state->mol->setName(state->lastName);
86
87 return Action::failure;
88}
89
90Action::state_ptr MoleculeBondFileAction::performRedo(Action::state_ptr _state){
91 // Undo and redo have to do the same for this action
92 return performUndo(_state);
93}
94
95bool MoleculeBondFileAction::canUndo() {
96 return false;
97}
98
99bool MoleculeBondFileAction::shouldUndo() {
100 return false;
101}
102
103const string MoleculeBondFileAction::getName() {
104 return NAME;
105}
Note: See TracBrowser for help on using the repository browser.