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 04b6f9 was 7aa000, checked in by Tillmann Crueger <crueger@…>, 15 years ago |
Added infrastructure to query molecules from MoleculeList
|
-
Property mode
set to
100644
|
File size:
1.8 KB
|
Rev | Line | |
---|
[f5a86a] | 1 | /*
|
---|
| 2 | * Dialog.cpp
|
---|
| 3 | *
|
---|
| 4 | * Created on: Jan 5, 2010
|
---|
| 5 | * Author: crueger
|
---|
| 6 | */
|
---|
| 7 |
|
---|
| 8 | #include <cassert>
|
---|
| 9 |
|
---|
| 10 | #include "UIElements/Dialog.hpp"
|
---|
| 11 |
|
---|
| 12 | using namespace std;
|
---|
| 13 |
|
---|
| 14 | Dialog::Dialog()
|
---|
| 15 | {
|
---|
| 16 | }
|
---|
| 17 |
|
---|
| 18 | Dialog::~Dialog()
|
---|
| 19 | {
|
---|
[45f5d6] | 20 | list<Query*>::iterator iter;
|
---|
| 21 | for(iter=queries.begin();iter!=queries.end();iter++){
|
---|
| 22 | delete (*iter);
|
---|
| 23 | }
|
---|
[f5a86a] | 24 | }
|
---|
| 25 |
|
---|
[45f5d6] | 26 | void Dialog::registerQuery(Query *query){
|
---|
| 27 | queries.push_back(query);
|
---|
| 28 | }
|
---|
[f5a86a] | 29 |
|
---|
[45f5d6] | 30 | bool Dialog::display(){
|
---|
| 31 | list<Query*>::iterator iter;
|
---|
| 32 | bool retval = true;
|
---|
| 33 | for(iter=queries.begin(); iter!=queries.end(); iter++){
|
---|
| 34 | retval &= (*iter)->handle();
|
---|
| 35 | // if any query fails (is canceled), we can end the handling process
|
---|
| 36 | if(!retval)
|
---|
| 37 | break;
|
---|
| 38 | }
|
---|
| 39 | if (retval){
|
---|
| 40 | // if all queries succeeded we can set the targets to appropriate values
|
---|
| 41 | for(iter=queries.begin(); iter!=queries.end(); iter++) {
|
---|
| 42 | (*iter)->setResult();
|
---|
| 43 | }
|
---|
| 44 | }
|
---|
| 45 | return retval;
|
---|
[f5a86a] | 46 | }
|
---|
| 47 |
|
---|
[7aa000] | 48 | /****************** Query types Infrastructure **************************/
|
---|
| 49 |
|
---|
| 50 | // Base class
|
---|
[45f5d6] | 51 | Dialog::Query::Query(string _title) :
|
---|
| 52 | title(_title)
|
---|
| 53 | {}
|
---|
[f5a86a] | 54 |
|
---|
[45f5d6] | 55 | Dialog::Query::~Query() {}
|
---|
| 56 |
|
---|
| 57 | const std::string Dialog::Query::getTitle() const{
|
---|
| 58 | return title;
|
---|
[f5a86a] | 59 | }
|
---|
| 60 |
|
---|
[7aa000] | 61 | // Int Queries
|
---|
| 62 |
|
---|
[45f5d6] | 63 | Dialog::IntQuery::IntQuery(string title,int *_target) :
|
---|
| 64 | Query(title), target(_target)
|
---|
| 65 | {}
|
---|
| 66 |
|
---|
| 67 | Dialog::IntQuery::~IntQuery() {}
|
---|
| 68 |
|
---|
| 69 | void Dialog::IntQuery::setResult() {
|
---|
| 70 | *target = tmp;
|
---|
[f5a86a] | 71 | }
|
---|
[45f5d6] | 72 |
|
---|
[7aa000] | 73 | // String Queries
|
---|
| 74 |
|
---|
[45f5d6] | 75 | Dialog::StringQuery::StringQuery(string title,string *_target) :
|
---|
| 76 | Query(title), target(_target)
|
---|
| 77 | {}
|
---|
| 78 |
|
---|
| 79 | Dialog::StringQuery::~StringQuery() {};
|
---|
| 80 |
|
---|
| 81 | void Dialog::StringQuery::setResult() {
|
---|
| 82 | *target = tmp;
|
---|
| 83 | }
|
---|
| 84 |
|
---|
[7aa000] | 85 | // Molecule Queries
|
---|
| 86 |
|
---|
| 87 | Dialog::MoleculeQuery::MoleculeQuery(string title, molecule **_target, MoleculeListClass *_molecules) :
|
---|
| 88 | Query(title),
|
---|
| 89 | target(_target),
|
---|
| 90 | molecules(_molecules),
|
---|
| 91 | tmp(0)
|
---|
| 92 | {}
|
---|
| 93 |
|
---|
| 94 | Dialog::MoleculeQuery::~MoleculeQuery() {}
|
---|
| 95 |
|
---|
| 96 | void Dialog::MoleculeQuery::setResult() {
|
---|
| 97 | *target = tmp;
|
---|
| 98 | }
|
---|
Note:
See
TracBrowser
for help on using the repository browser.