source: src/UIElements/Dialog.cpp@ 104524

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 104524 was 104524, checked in by Frederik Heber <heber@…>, 15 years ago

Changed PairCorrelationAction to incorporate all three cases and handled different parameters needed for each, changed queryElement to list of elements.

PairCorrelationAction:

queryElement:

Others:

  • Property mode set to 100644
File size: 4.0 KB
Line 
1/*
2 * Dialog.cpp
3 *
4 * Created on: Jan 5, 2010
5 * Author: crueger
6 */
7
8#include <cassert>
9
10#include "Dialog.hpp"
11
12#include "atom.hpp"
13#include "element.hpp"
14#include "molecule.hpp"
15#include "vector.hpp"
16
17using namespace std;
18
19Dialog::Dialog()
20{
21}
22
23Dialog::~Dialog()
24{
25 list<Query*>::iterator iter;
26 for(iter=queries.begin();iter!=queries.end();iter++){
27 delete (*iter);
28 }
29}
30
31void Dialog::registerQuery(Query *query){
32 queries.push_back(query);
33}
34
35bool Dialog::display(){
36 list<Query*>::iterator iter;
37 bool retval = true;
38 for(iter=queries.begin(); iter!=queries.end(); iter++){
39 retval &= (*iter)->handle();
40 // if any query fails (is canceled), we can end the handling process
41 if(!retval)
42 break;
43 }
44 if (retval){
45 // if all queries succeeded we can set the targets to appropriate values
46 for(iter=queries.begin(); iter!=queries.end(); iter++) {
47 (*iter)->setResult();
48 }
49 }
50 return retval;
51}
52
53/****************** Query types Infrastructure **************************/
54
55// Base class
56Dialog::Query::Query(string _title, string _description) :
57 title(_title),
58 description(_description)
59{}
60
61Dialog::Query::~Query() {}
62
63const std::string Dialog::Query::getTitle() const{
64 return title;
65}
66
67const std::string Dialog::Query::getDescription() const{
68 return description;
69}
70// empty Queries
71
72Dialog::EmptyQuery::EmptyQuery(string title, std::string description) :
73 Query(title, description)
74{}
75
76Dialog::EmptyQuery::~EmptyQuery() {}
77
78void Dialog::EmptyQuery::setResult() {
79}
80
81// Int Queries
82
83Dialog::IntQuery::IntQuery(string title,int *_target, std::string description) :
84 Query(title, description), target(_target)
85{}
86
87Dialog::IntQuery::~IntQuery() {}
88
89void Dialog::IntQuery::setResult() {
90 *target = tmp;
91}
92
93// Int Queries
94
95Dialog::BooleanQuery::BooleanQuery(string title,bool *_target, std::string description) :
96 Query(title, description), target(_target)
97{}
98
99Dialog::BooleanQuery::~BooleanQuery() {}
100
101void Dialog::BooleanQuery::setResult() {
102 *target = tmp;
103}
104
105// String Queries
106
107Dialog::StringQuery::StringQuery(string title,string *_target, std::string _description) :
108 Query(title, _description), target(_target)
109{}
110
111Dialog::StringQuery::~StringQuery() {};
112
113void Dialog::StringQuery::setResult() {
114 *target = tmp;
115}
116
117// Double Queries
118
119Dialog::DoubleQuery::DoubleQuery(string title,double *_target, std::string _description) :
120 Query(title, _description), target(_target)
121{}
122
123Dialog::DoubleQuery::~DoubleQuery() {};
124
125void Dialog::DoubleQuery::setResult() {
126 *target = tmp;
127}
128
129
130// Atom Queries
131
132Dialog::AtomQuery::AtomQuery(string title, atom **_target, std::string _description) :
133 Query(title, _description),
134 tmp(0),
135 target(_target)
136
137{}
138
139Dialog::AtomQuery::~AtomQuery() {}
140
141void Dialog::AtomQuery::setResult() {
142 *target = tmp;
143}
144
145// Molecule Queries
146
147Dialog::MoleculeQuery::MoleculeQuery(string title, molecule **_target, std::string _description) :
148 Query(title, _description),
149 tmp(0),
150 target(_target)
151
152{}
153
154Dialog::MoleculeQuery::~MoleculeQuery() {}
155
156void Dialog::MoleculeQuery::setResult() {
157 *target = tmp;
158}
159
160// Vector Queries
161
162Dialog::VectorQuery::VectorQuery(std::string title,Vector *_target,const double *const _cellSize,bool _check, std::string _description) :
163 Query(title, _description),
164 cellSize(_cellSize),
165 check(_check),
166 target(_target)
167{
168 tmp = new Vector();
169}
170
171Dialog::VectorQuery::~VectorQuery()
172{
173 delete tmp;
174}
175
176void Dialog::VectorQuery::setResult() {
177 *target = *tmp;
178}
179
180// Box Queries
181
182Dialog::BoxQuery::BoxQuery(std::string title, double ** const _cellSize, std::string _description) :
183 Query(title, _description),
184 target(_cellSize)
185{
186 tmp = new double[6];
187}
188
189Dialog::BoxQuery::~BoxQuery()
190{
191 delete[] tmp;
192}
193
194void Dialog::BoxQuery::setResult() {
195 for (int i=0;i<6;i++) {
196 (*target)[i] = tmp[i];
197 }
198}
199
200// Element Queries
201Dialog::ElementQuery::ElementQuery(std::string title, std::vector<element *> *_target, std::string _description) :
202 Query(title, _description),
203 target(_target)
204 {}
205
206Dialog::ElementQuery::~ElementQuery(){}
207
208void Dialog::ElementQuery::setResult(){
209 *target=elements;
210}
Note: See TracBrowser for help on using the repository browser.