source: src/Actions/WorldAction/InputAction.cpp@ 9c1c89

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 9c1c89 was bcf653, checked in by Frederik Heber <heber@…>, 14 years ago

Added copyright note to each .cpp file and an extensive one to builder.cpp.

  • Property mode set to 100644
File size: 3.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * InputAction.cpp
10 *
11 * Created on: May 8, 2010
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "Helpers/MemDebug.hpp"
21
22#include "Actions/WorldAction/InputAction.hpp"
23#include "Actions/ActionRegistry.hpp"
24#include "Helpers/Log.hpp"
25#include "molecule.hpp"
26#include "Parser/FormatParserStorage.hpp"
27#include "Parser/PcpParser.hpp"
28#include "Helpers/Verbose.hpp"
29#include "World.hpp"
30
31#include <iostream>
32#include <string>
33
34using namespace std;
35
36#include "UIElements/UIFactory.hpp"
37#include "UIElements/Dialog.hpp"
38#include "Actions/ValueStorage.hpp"
39
40const char WorldInputAction::NAME[] = "input";
41
42WorldInputAction::WorldInputAction() :
43 Action(NAME)
44{}
45
46WorldInputAction::~WorldInputAction()
47{}
48
49void WorldInput(std::string &filename) {
50 ValueStorage::getInstance().setCurrentValue(WorldInputAction::NAME, filename);
51 ActionRegistry::getInstance().getActionByName(WorldInputAction::NAME)->call(Action::NonInteractive);
52};
53
54Dialog* WorldInputAction::fillDialog(Dialog *dialog) {
55 ASSERT(dialog,"No Dialog given when filling action dialog");
56
57 dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME));
58
59 return dialog;
60}
61
62Action::state_ptr WorldInputAction::performCall() {
63 MoleculeListClass *molecules = World::getInstance().getMolecules();
64 molecule *mol = NULL;
65 std::string filename;
66 std::ifstream test;
67
68 ValueStorage::getInstance().queryCurrentValue(NAME, filename);
69
70 DoLog(0) && (Log() << Verbose(0) << "Config file given." << endl);
71 if (filename.find('.') != string::npos) {
72 std::string FilenamePrefix = filename.substr(0,filename.find_last_of('.'));
73 std::string FilenameSuffix = filename.substr(filename.find_last_of('.')+1, filename.length());
74 DoLog(1) && (Log() << Verbose(1) << "Setting config file name prefix to " << FilenamePrefix << "." << endl);
75 test.open(filename.c_str());
76 if (test == NULL) {
77 DoLog(1) && (Log() << Verbose(1) << "Specified config file " << filename << " not found." << endl);
78 } else {
79 DoLog(1) && (Log() << Verbose(1) << "Specified config file found, parsing ... ");
80 FormatParserStorage::getInstance().get((std::istream &)test, FilenameSuffix);
81 test.close();
82 }
83 FormatParserStorage::getInstance().SetOutputPrefixForAll(FilenamePrefix);
84 // set mol to first active molecule
85 if (molecules->ListOfMolecules.size() != 0) {
86 for (MoleculeList::iterator ListRunner = molecules->ListOfMolecules.begin(); ListRunner != molecules->ListOfMolecules.end(); ListRunner++)
87 if ((*ListRunner)->ActiveFlag) {
88 mol = *ListRunner;
89 break;
90 }
91 }
92 if (mol == NULL) {
93 mol = World::getInstance().createMolecule();
94 mol->ActiveFlag = true;
95 molecules->insert(mol);
96 }
97 mol->SetNameFromFilename(filename.substr(0,filename.find('.')).c_str());
98 } else {
99 DoeLog(1) && (eLog() << Verbose(1) << "Input file does not have a suffix, cannot recognize format." << endl);
100 }
101 return Action::success;
102}
103
104Action::state_ptr WorldInputAction::performUndo(Action::state_ptr _state) {
105// ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
106
107 return Action::failure;
108// string newName = state->mol->getName();
109// state->mol->setName(state->lastName);
110//
111// return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
112}
113
114Action::state_ptr WorldInputAction::performRedo(Action::state_ptr _state){
115 return Action::failure;
116}
117
118bool WorldInputAction::canUndo() {
119 return false;
120}
121
122bool WorldInputAction::shouldUndo() {
123 return false;
124}
125
126const string WorldInputAction::getName() {
127 return NAME;
128}
Note: See TracBrowser for help on using the repository browser.