Changeset b2531f

Timestamp:

Jun 27, 2010, 12:52:31 AM (15 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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

Children:

bdb143

Parents:

b0acc3

git-author:

Frederik Heber <heber@…> (06/26/10 23:55:00)

git-committer:

Frederik Heber <heber@…> (06/27/10 00:52:31)

Message:

Introduced a MenuBar and Menus to the QT interface.

• new map MapOfActions::MenuDescriptionMap which contains short and long descriptions of the menus.
• MapOfActions::populateActions() - rotate-to-pas and suspend-in-water actions were missing.
• QTMainWindow
  • QTMainWindow() - creates a MenuBar and QTMenus and fills them with the actions from the maps in MapOfActions.
  • new function populateMenu() - same as in TextWindow.
  • new function getSuitableShortForm() - same as in TextWindow.
• TextWindow::TextWindow() - also makes use of the new map MenuDescriptionMap.
• MoleculeSuspendInWaterAction - changed argument to density and molecule is obtained by molecule-by-id

• TESTFIX: Molecule/8 had wrong argument for rotate-to-pas
• TESTFIX: Filling/2 had missing molecule-by-id

Files:

• src/Actions/MapOfActions.cpp (modified) (3 diffs)
• src/Actions/MapOfActions.hpp (modified) (1 diff)
• src/Actions/MoleculeAction/SuspendInWaterAction.cpp (modified) (1 diff)
• src/UIElements/QT4/QTMainWindow.cpp (modified) (3 diffs)
• src/UIElements/QT4/QTMainWindow.hpp (modified) (3 diffs)
• src/UIElements/TextUI/TextWindow.cpp (modified) (1 diff)
• tests/regression/testsuite-filling.at (modified) (1 diff)
• tests/regression/testsuite-molecules.at (modified) (1 diff)

src/Actions/MapOfActions.cpp

@@ -42 +42 @@
 #include "Actions/MoleculeAction/FillWithMoleculeAction.hpp"
 #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
+#include "Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp"
 #include "Actions/MoleculeAction/SaveAdjacencyAction.hpp"
 #include "Actions/MoleculeAction/SaveBondsAction.hpp"
 #include "Actions/MoleculeAction/SaveTemperatureAction.hpp"
+#include "Actions/MoleculeAction/SuspendInWaterAction.hpp"
 #include "Actions/MoleculeAction/TranslateAction.hpp"
 #include "Actions/MoleculeAction/VerletIntegrationAction.hpp"
@@ -288 +290 @@
 
   // put action into each menu category
+  MenuDescription["analysis"] = pair<std::string,std::string>("Analysis (pair correlation, volume)", "Analysis");
+  MenuDescription["atom"] = pair<std::string,std::string>("Edit atoms", "Edit atoms");
+  MenuDescription["command"] = pair<std::string,std::string>("Configuration", "Configuration");
+  MenuDescription["fragmentation"] = pair<std::string,std::string>("Fragmentation", "Fragmentation");
+  MenuDescription["molecule"] = pair<std::string,std::string>("Parse files into system", "Parse files");
+  MenuDescription["parser"] = pair<std::string,std::string>("Edit molecules (load, parse, save)", "Edit molecules");
+  MenuDescription["tesselation"] = pair<std::string,std::string>("Tesselate molecules", "Tesselate molecules");
+  MenuDescription["world"] = pair<std::string,std::string>("Edit world", "Edit world");
+
   MenuContainsActionMap.insert( pair<std::string, std::string> ("analysis", "molecular-volume") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("analysis", "pair-correlation") );
@@ -445 +456 @@
   new MoleculeFillWithMoleculeAction();
   new MoleculeLinearInterpolationofTrajectoriesAction();
+  new MoleculeRotateToPrincipalAxisSystemAction();
   new MoleculeSaveAdjacencyAction();
   new MoleculeSaveBondsAction();
   new MoleculeSaveTemperatureAction();
+  new MoleculeSuspendInWaterAction();
   new MoleculeTranslateAction();
   new MoleculeVerletIntegrationAction();

src/Actions/MapOfActions.hpp

@@ -145 +145 @@
 
   std::multimap <std::string, std::string> MenuContainsActionMap;
+  std::map <std::string, std::pair<std::string,std::string> > MenuDescription;
 
   // instantiates and puts all known actions into the ActionRegistry

src/Actions/MoleculeAction/SuspendInWaterAction.cpp

@@ -55 +55 @@
   double volume = 0.;
 
-  dialog->queryMolecule(NAME, &mol, MapOfActions::getInstance().getDescription(NAME));
-  dialog->queryDouble("density", &density, MapOfActions::getInstance().getDescription("density"));
+  dialog->queryDouble(NAME, &density, MapOfActions::getInstance().getDescription(NAME));
+  dialog->queryMolecule("molecule-by-id", &mol, MapOfActions::getInstance().getDescription("molecule-by-id"));
 
   if(dialog->display()) {

src/UIElements/QT4/QTMainWindow.cpp

@@ -15 +15 @@
 
 #include<iostream>
+#include<map>
+
 #include<boost/bind.hpp>
 
 #include "atom.hpp"
 #include "molecule.hpp"
+#include "Actions/Action.hpp"
+#include "Actions/ActionRegistry.hpp"
+#include "Actions/MapOfActions.hpp"
+#include "Menu/Menu.hpp"
 #include "Menu/QT4/QTMenu.hpp"
+#include "Menu/ActionMenuItem.hpp"
 #include "Views/QT4/QTWorldView.hpp"
 #include "Views/QT4/GLMoleculeView.hpp"
@@ -40 +47 @@
   molecule3dDisplay = new GLMoleculeView();
 
-  QMenuBar *Menu = menuBar();
+  MenuBar = menuBar();
+
+  std::map <std::string, QTMenu *> NametoTextMenuMap;
+  // go through all menus and create them
+  QTMenu *Menu = NULL;
+  for(std::map<std::string, std::pair<std::string,std::string> >::iterator iter = MapOfActions::getInstance().MenuDescription.begin(); iter != MapOfActions::getInstance().MenuDescription.end(); ++iter) {
+    cout << "Creating menu " << iter->first << endl;
+    Menu = new QTMenu(iter->first.c_str());
+    MenuBar->addMenu(Menu);
+    NametoTextMenuMap.insert( pair <std::string, QTMenu *> (iter->first, Menu) );
+    //new SubMenuItem(getSuitableShortForm(iter->first),iter->second.first,main_menu,Menu);
+  }
+
+  // populate all actions
+  MapOfActions::getInstance().populateActions();
+
+  // go through all actions and add them to its menu
+  for (std::map <std::string, QTMenu *>::iterator MenuRunner = NametoTextMenuMap.begin(); MenuRunner != NametoTextMenuMap.end(); ++MenuRunner) {
+    cout << "Creating Action " << MenuRunner->first << " in menu " << MenuRunner->second << endl;
+    populateMenu(MenuRunner->second, MenuRunner->first);
+  }
 
   setCentralWidget(splitter1);
@@ -65 +92 @@
   theApp->exec();
 }
+
+char QTMainWindow::getSuitableShortForm(set <char> &ShortcutList, const std::string name) const
+{
+  for (std::string::const_iterator CharRunner = name.begin(); CharRunner != name.end(); ++CharRunner) {
+    if (ShortcutList.find(*CharRunner) == ShortcutList.end())
+      return *CharRunner;
+  }
+  DoeLog(1) && (eLog() << Verbose(1) << "Could not find a suitable shortform for TextWindow::getSuitableShortForm()." << endl);
+  return ((char)(ShortcutList.size() % 10) + '0');
+}
+
+void QTMainWindow::populateMenu(QTMenu* Menu, const  std::string &MenuName)
+{
+  Action *ActionItem = NULL;
+  set <char> ShortcutList;
+  // through all actions for this menu
+  std::pair < std::multimap <std::string, std::string>::iterator, std::multimap <std::string, std::string>::iterator > MenuActions = MapOfActions::getInstance().MenuContainsActionMap.equal_range(MenuName);
+  for (std::multimap <std::string, std::string>::const_iterator MenuRunner = MenuActions.first; MenuRunner != MenuActions.second; ++MenuRunner) {
+    cout << " Adding " << MenuRunner->second << " to submenu " << MenuName << endl;
+    ActionItem = ActionRegistry::getInstance().getActionByName(MenuRunner->second);
+    new ActionMenuItem(getSuitableShortForm(ShortcutList, MenuRunner->second),MapOfActions::getInstance().getDescription(MenuRunner->second).c_str(),Menu,ActionItem);
+  }
+  // finally add default quit item
+  //Action *returnFromAction = new TextMenu::LeaveAction(Menu);
+  //MenuItem *returnFromItem = new ActionMenuItem('q',"return to Main menu",Menu,returnFromAction);
+  //Menu->addDefault(returnFromItem);
+}

src/UIElements/QT4/QTMainWindow.hpp

@@ -11 +11 @@
 #include "UIElements/MainWindow.hpp"
 #include <QtGui/QMainWindow>
+
+#include <set>
 
 class QTWorldView;
@@ -29 +31 @@
   virtual void display();
 
+  char getSuitableShortForm(std::set <char> &ShortcutList, const std::string name) const;
+  void populateMenu(QTMenu* Menu, const  std::string &MenuName);
+
 private:
   // All kinds of QTStuff used in this window
@@ -37 +42 @@
   QTMoleculeView *moleculeDisplay;
   QTStatusBar *statusBar;
+  QMenuBar *MenuBar;
 
 };

src/UIElements/TextUI/TextWindow.cpp

@@ -71 +71 @@
   new ActionMenuItem('a',"set molecule (in)active",main_menu,setMoleculeAction);
 
-  TextMenu *AnalysisMenu = new TextMenu(Log() << Verbose(0), "Analysis");
-  NametoTextMenuMap.insert( pair <std::string, TextMenu *> ("analysis", AnalysisMenu) );
-  new SubMenuItem('A',"Analysis (pair correlation, volume)",main_menu,AnalysisMenu);
-
-  TextMenu *CommandMenu = new TextMenu(Log() << Verbose(0), "Configuration");
-  NametoTextMenuMap.insert( pair <std::string, TextMenu *> ("command", CommandMenu) );
-  new SubMenuItem('c',"configuration",main_menu,CommandMenu);
-
-  TextMenu *AtomMenu = new TextMenu(Log() << Verbose(0), "Atoms");
-  NametoTextMenuMap.insert( pair <std::string, TextMenu *> ("atom", AtomMenu) );
-  new SubMenuItem('e',"edit atoms",main_menu,AtomMenu);
-
-  TextMenu *FragmentationMenu = new TextMenu(Log() << Verbose(0), "Fragmentation");
-  NametoTextMenuMap.insert( pair <std::string, TextMenu *> ("fragmentation", FragmentationMenu) );
-  new SubMenuItem('f',"fragmentation",main_menu,FragmentationMenu);
-
-  TextMenu *ParserMenu = new TextMenu(Log() << Verbose(0), "Parse files");
-  NametoTextMenuMap.insert( pair <std::string, TextMenu *> ("parser", ParserMenu) );
-  new SubMenuItem('p',"parse files into system",main_menu,ParserMenu);
-
-  TextMenu *MoleculesMenu = new TextMenu(Log() << Verbose(0), "Edit Molecules");
-  NametoTextMenuMap.insert( pair <std::string, TextMenu *> ("analysis", AnalysisMenu) );
-  new SubMenuItem('m',"edit molecules (load, parse, save)",main_menu,MoleculesMenu);
-
-  TextMenu *TesselationMenu = new TextMenu(Log() << Verbose(0), "Tesselate Molecules");
-  NametoTextMenuMap.insert( pair <std::string, TextMenu *> ("tesselation", TesselationMenu) );
-  new SubMenuItem('t',"tesselate molecules",main_menu,TesselationMenu);
-
-  TextMenu *WorldMenu = new TextMenu(Log() << Verbose(0), "World");
-  NametoTextMenuMap.insert( pair <std::string, TextMenu *> ("world", WorldMenu) );
-  new SubMenuItem('w',"edit world",main_menu,WorldMenu);
+  TextMenu *Menu = NULL;
+  std::set <char> ShortcutList;
+  for(map<std::string, pair<std::string,std::string> >::iterator iter = MapOfActions::getInstance().MenuDescription.begin(); iter != MapOfActions::getInstance().MenuDescription.end(); ++iter) {
+    Menu = new TextMenu(Log() << Verbose(0), iter->second.second);
+    NametoTextMenuMap.insert( pair <std::string, TextMenu *> (iter->first, Menu) );
+    new SubMenuItem(getSuitableShortForm(ShortcutList,iter->first),iter->second.first.c_str(),main_menu,Menu);
+  }
 
   new SeperatorItem(main_menu);

tests/regression/testsuite-filling.at

@@ -18 +18 @@
 AT_KEYWORDS([filling])
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/2/pre/test.conf .], 0)
-AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -u 1.3], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -u 1.3 --molecule-by-id 0], 0, [stdout], [stderr])
 #AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/2/post/$file], 0, [ignore], [ignore])
 AT_CLEANUP

tests/regression/testsuite-molecules.at

@@ -61 +61 @@
 AT_KEYWORDS([Molecules])
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/8/pre/test.* .], 0)
-AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -m 1], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -m 0], 0, [stdout], [stderr])
 #AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/8/post/$file], 0, [ignore], [ignore])
 AT_CLEANUP