source: src/UIElements/Dialog.cpp@ 6f5dfe

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 6f5dfe was 6f5dfe, checked in by Frederik Heber <heber@…>, 14 years ago

Added boost::filesystem usage for input files.

  • parameters for Action input now have type boost::filesystem.
  • rewritten Actions to use boost::filesystems
  • in the progress of writing FileQtQuery to present a file dialog.
  • Property mode set to 100644
File size: 9.5 KB
RevLine 
[bcf653]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
[f5a86a]8/*
9 * Dialog.cpp
10 *
11 * Created on: Jan 5, 2010
12 * Author: crueger
13 */
14
[bf3817]15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
[112b09]20#include "Helpers/MemDebug.hpp"
21
[5079a0]22#include "Dialog.hpp"
[861874]23#include "Actions/ValueStorage.hpp"
[f5a86a]24
[952f38]25#include "Helpers/Verbose.hpp"
[97ebf8]26#include "atom.hpp"
[9ee38b]27#include "Box.hpp"
[97ebf8]28#include "element.hpp"
29#include "molecule.hpp"
[72f611]30#include "LinearAlgebra/BoxVector.hpp"
[57f243]31#include "LinearAlgebra/Vector.hpp"
32#include "LinearAlgebra/Matrix.hpp"
[2ededc2]33
[f5a86a]34using namespace std;
35
36Dialog::Dialog()
37{
38}
39
40Dialog::~Dialog()
41{
[45f5d6]42 list<Query*>::iterator iter;
43 for(iter=queries.begin();iter!=queries.end();iter++){
44 delete (*iter);
45 }
[f5a86a]46}
47
[45f5d6]48void Dialog::registerQuery(Query *query){
49 queries.push_back(query);
50}
[f5a86a]51
[45f5d6]52bool Dialog::display(){
[d3a5ea]53 if(checkAll()){
54 setAll();
55 return true;
56 }
57 else{
58 return false;
59 }
60}
61
62bool Dialog::checkAll(){
[45f5d6]63 list<Query*>::iterator iter;
64 bool retval = true;
65 for(iter=queries.begin(); iter!=queries.end(); iter++){
66 retval &= (*iter)->handle();
67 // if any query fails (is canceled), we can end the handling process
[94d131]68 if(!retval) {
69 DoeLog(1) && (eLog() << Verbose(1) << "The following query failed: " << (**iter).getTitle() << "." << endl);
[45f5d6]70 break;
[94d131]71 }
[45f5d6]72 }
73 return retval;
[f5a86a]74}
75
[d3a5ea]76void Dialog::setAll(){
77 list<Query*>::iterator iter;
78 for(iter=queries.begin(); iter!=queries.end(); iter++) {
79 (*iter)->setResult();
80 }
81}
82
[c508ef5]83bool Dialog::hasQueries(){
84 return queries.size();
85}
86
[9ee38b]87template <> void Dialog::query<void *>(const char *token, std::string description)
88{
89 queryEmpty(token, description);
90}
91
92template <> void Dialog::query<bool>(const char *token, std::string description)
93{
94 queryBoolean(token, description);
95}
96
97template <> void Dialog::query<int>(const char *token, std::string description)
98{
99 queryInt(token, description);
100}
101
102template <> void Dialog::query< std::vector<int> >(const char *token, std::string description)
103{
104 queryInts(token, description);
105}
106
107template <> void Dialog::query<double>(const char *token, std::string description)
108{
109 queryDouble(token, description);
110}
111
112template <> void Dialog::query< std::vector<double> >(const char *token, std::string description)
113{
114 queryDoubles(token, description);
115}
116
117template <> void Dialog::query<std::string>(const char *token, std::string description)
118{
119 queryString(token, description);
120}
121
122template <> void Dialog::query< std::vector<std::string> >(const char *token, std::string description)
123{
124 queryStrings(token, description);
125}
126
127template <> void Dialog::query<atom *>(const char *token, std::string description)
128{
129 queryAtom(token, description);
130}
131
132template <> void Dialog::query< std::vector<atom *> >(const char *token, std::string description)
133{
134 queryAtoms(token, description);
135}
136
137template <> void Dialog::query<molecule *>(const char *token, std::string description)
138{
139 queryMolecule(token, description);
140}
141
142template <> void Dialog::query< std::vector<molecule *> >(const char *token, std::string description)
143{
144 queryMolecules(token, description);
145}
146
147template <> void Dialog::query<Vector>(const char *token, std::string description)
148{
149 queryVector(token, false, description);
150}
151
152template <> void Dialog::query< std::vector<Vector> >(const char *token, std::string description)
153{
154 queryVectors(token, false, description);
155}
156
[72f611]157template <> void Dialog::query<BoxVector>(const char *token, std::string description)
158{
159 queryVector(token, true, description);
160}
161
162template <> void Dialog::query< std::vector<BoxVector> >(const char *token, std::string description)
163{
164 queryVectors(token, true, description);
165}
166
[9ee38b]167template <> void Dialog::query<Box>(const char *token, std::string description)
168{
169 queryBox(token, description);
170}
171
172template <> void Dialog::query<const element *>(const char *token, std::string description)
173{
174 queryElement(token, description);
175}
176
177template <> void Dialog::query< std::vector<const element *> >(const char *token, std::string description)
178{
179 queryElements(token, description);
180}
181
[6f5dfe]182template <> void Dialog::query< boost::filesystem::path >(const char *token, std::string description)
183{
184 queryFile(token, description);
185}
186
[7aa000]187/****************** Query types Infrastructure **************************/
188
189// Base class
[a2ab15]190Dialog::Query::Query(string _title, string _description) :
191 title(_title),
192 description(_description)
[45f5d6]193{}
[f5a86a]194
[45f5d6]195Dialog::Query::~Query() {}
196
197const std::string Dialog::Query::getTitle() const{
198 return title;
[f5a86a]199}
200
[a2ab15]201const std::string Dialog::Query::getDescription() const{
202 return description;
203}
[86466e]204// empty Queries
205
206Dialog::EmptyQuery::EmptyQuery(string title, std::string description) :
207 Query(title, description)
208{}
209
210Dialog::EmptyQuery::~EmptyQuery() {}
211
212void Dialog::EmptyQuery::setResult() {
213}
214
[7aa000]215// Int Queries
216
[75dc28]217Dialog::IntQuery::IntQuery(string title, std::string description) :
218 Query(title, description)
[45f5d6]219{}
220
221Dialog::IntQuery::~IntQuery() {}
222
223void Dialog::IntQuery::setResult() {
[3731b4]224 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[f5a86a]225}
[45f5d6]226
[7cd6e7]227// Ints Queries
228
229Dialog::IntsQuery::IntsQuery(string title, std::string description) :
230 Query(title, description)
231{}
232
233Dialog::IntsQuery::~IntsQuery() {}
234
235void Dialog::IntsQuery::setResult() {
236 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
237}
238
239// Bool Queries
[97ebf8]240
[75dc28]241Dialog::BooleanQuery::BooleanQuery(string title,std::string description) :
242 Query(title, description)
[97ebf8]243{}
244
245Dialog::BooleanQuery::~BooleanQuery() {}
246
247void Dialog::BooleanQuery::setResult() {
[3731b4]248 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[97ebf8]249}
250
[7aa000]251// String Queries
252
[75dc28]253Dialog::StringQuery::StringQuery(string title,std::string _description) :
254 Query(title, _description)
[45f5d6]255{}
256
257Dialog::StringQuery::~StringQuery() {};
258
259void Dialog::StringQuery::setResult() {
[3731b4]260 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[45f5d6]261}
262
[cd8e55]263// Strings Queries
264
[75dc28]265Dialog::StringsQuery::StringsQuery(string title,std::string _description) :
266 Query(title, _description)
[cd8e55]267{}
268
269Dialog::StringsQuery::~StringsQuery() {};
270
271void Dialog::StringsQuery::setResult() {
[3731b4]272 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[cd8e55]273}
274
[2ededc2]275// Double Queries
276
[75dc28]277Dialog::DoubleQuery::DoubleQuery(string title, std::string _description) :
278 Query(title, _description)
[2ededc2]279{}
280
281Dialog::DoubleQuery::~DoubleQuery() {};
282
283void Dialog::DoubleQuery::setResult() {
[3731b4]284 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[2ededc2]285}
286
[7cd6e7]287// Doubles Queries
288
289Dialog::DoublesQuery::DoublesQuery(string title, std::string _description) :
290 Query(title, _description)
291{}
292
293Dialog::DoublesQuery::~DoublesQuery() {};
294
295void Dialog::DoublesQuery::setResult() {
296 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
297}
298
[2ededc2]299
[97ebf8]300// Atom Queries
301
[75dc28]302Dialog::AtomQuery::AtomQuery(string title, std::string _description) :
[97ebf8]303 Query(title, _description),
[75dc28]304 tmp(0)
[97ebf8]305{}
306
307Dialog::AtomQuery::~AtomQuery() {}
308
309void Dialog::AtomQuery::setResult() {
[3731b4]310 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[97ebf8]311}
312
[7cd6e7]313// Atoms Queries
314
315Dialog::AtomsQuery::AtomsQuery(string title, std::string _description) :
316 Query(title, _description),
317 tmp(0)
318{}
319
320Dialog::AtomsQuery::~AtomsQuery() {}
321
322void Dialog::AtomsQuery::setResult() {
323 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
324}
325
[7aa000]326// Molecule Queries
327
[75dc28]328Dialog::MoleculeQuery::MoleculeQuery(string title, std::string _description) :
[a2ab15]329 Query(title, _description),
[75dc28]330 tmp(0)
[7aa000]331{}
332
333Dialog::MoleculeQuery::~MoleculeQuery() {}
334
335void Dialog::MoleculeQuery::setResult() {
[3731b4]336 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[7aa000]337}
[2ededc2]338
[7cd6e7]339// Molecules Queries
340
341Dialog::MoleculesQuery::MoleculesQuery(string title, std::string _description) :
342 Query(title, _description),
343 tmp(0)
344{}
345
346Dialog::MoleculesQuery::~MoleculesQuery() {}
347
348void Dialog::MoleculesQuery::setResult() {
349 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
350}
351
[2ededc2]352// Vector Queries
353
[75dc28]354Dialog::VectorQuery::VectorQuery(std::string title,bool _check, std::string _description) :
[a2ab15]355 Query(title, _description),
[75dc28]356 check(_check)
[7cd6e7]357{}
[2ededc2]358
359Dialog::VectorQuery::~VectorQuery()
[7cd6e7]360{}
[2ededc2]361
362void Dialog::VectorQuery::setResult() {
[3731b4]363 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[2ededc2]364}
[5a7243]365
[7cd6e7]366// Vectors Queries
367
368Dialog::VectorsQuery::VectorsQuery(std::string title,bool _check, std::string _description) :
369 Query(title, _description),
370 check(_check)
371{}
372
373Dialog::VectorsQuery::~VectorsQuery()
374{}
375
376void Dialog::VectorsQuery::setResult() {
377 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
378}
379
[97ebf8]380// Box Queries
381
[75dc28]382Dialog::BoxQuery::BoxQuery(std::string title, std::string _description) :
383 Query(title, _description)
[8bc733]384{}
[97ebf8]385
386Dialog::BoxQuery::~BoxQuery()
[8bc733]387{}
[97ebf8]388
389void Dialog::BoxQuery::setResult() {
[3731b4]390 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[97ebf8]391}
392
[5a7243]393// Element Queries
[75dc28]394Dialog::ElementQuery::ElementQuery(std::string title, std::string _description) :
395 Query(title, _description)
[5a7243]396 {}
397
398Dialog::ElementQuery::~ElementQuery(){}
399
400void Dialog::ElementQuery::setResult(){
[3731b4]401 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
[5a7243]402}
[7cd6e7]403
404// Elements Queries
405Dialog::ElementsQuery::ElementsQuery(std::string title, std::string _description) :
406 Query(title, _description)
407 {}
408
409Dialog::ElementsQuery::~ElementsQuery(){}
410
411void Dialog::ElementsQuery::setResult(){
412 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
413}
[6f5dfe]414
415// File Queries
416Dialog::FileQuery::FileQuery(std::string title, std::string _description) :
417 Query(title, _description)
418 {}
419
420Dialog::FileQuery::~FileQuery(){}
421
422void Dialog::FileQuery::setResult(){
423 ValueStorage::getInstance().setCurrentValue(title.c_str(), tmp);
424}
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