Changeset 3e52834 for src

Timestamp:

Aug 5, 2015, 5:32:08 PM (9 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:

6c16a0

Parents:

009e2e2

git-author:

Frederik Heber <heber@…> (06/21/15 04:49:13)

git-committer:

Frederik Heber <heber@…> (08/05/15 17:32:08)

Message:

QtMoleculeItem_... use ObservedValue for internally representing atom's state.

• this affects atomcount, formula, and name. visibility depends on clicked state and occurrence is changed elsewhere.

Location:

src/UIElements/Views/Qt4/MoleculeList

Files:

• QtMoleculeItem.cpp (modified) (4 diffs)
• QtMoleculeItem.hpp (modified) (2 diffs)
• SpecificItems/QtMoleculeItem_atomcount.hpp (modified) (3 diffs)
• SpecificItems/QtMoleculeItem_formula.hpp (modified) (3 diffs)
• SpecificItems/QtMoleculeItem_name.hpp (modified) (3 diffs)
• SpecificItems/QtMoleculeItem_visibility.hpp (modified) (1 diff)

src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.cpp

@@ -61 +61 @@
   movetype(_movetype),
   channellist(_channellist),
-  IsSignedOn(false),
+  owner(NULL),
   dirty(true),
   emitDirtyState(_emitDirtyState)
@@ -74 +74 @@
       getMolecule(MoleculeById(molid));
   if (mol != NULL) {
-    if (!IsSignedOn)
-      for (channellist_t::const_iterator channeliter = channellist.begin();
-          channeliter != channellist.end(); ++channeliter)
-        mol->signOn(this, *channeliter);
-    IsSignedOn = true;
+    owner = static_cast<const Observable *>(mol);
+    for (channellist_t::const_iterator channeliter = channellist.begin();
+        channeliter != channellist.end(); ++channeliter)
+      owner->signOn(this, *channeliter);
   }
 }
@@ -84 +83 @@
 void QtMoleculeItem::signOffFromMolecule()
 {
-  const molecule * const mol = const_cast<const World &>(World::getInstance()).
-      getMolecule(MoleculeById(molid));
-  if (mol != NULL) {
-    if (IsSignedOn)
-      for (channellist_t::const_iterator channeliter = channellist.begin();
-          channeliter != channellist.end(); ++channeliter)
-        mol->signOff(this, *channeliter);
+  if (owner != NULL) {
+    for (channellist_t::const_iterator channeliter = channellist.begin();
+        channeliter != channellist.end(); ++channeliter)
+      owner->signOff(this, *channeliter);
+    owner = NULL;
   }
-  IsSignedOn = false;
 }
 
@@ -136 +132 @@
 void QtMoleculeItem::subjectKilled(Observable *publisher)
 {
-  IsSignedOn = false;
+  signOffFromMolecule();
   dirty = false;
 }

src/UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp

@@ -40 +40 @@
 public:
   //!> typedef for a list of notification channels required, to know when to update
-  typedef std::list<molecule::NotificationType> channellist_t;
+  typedef Observable::channels_t channellist_t;
 
   //!> enum states whether an item's formula changed or not
@@ -100 +100 @@
   const channellist_t &channellist;
 
-  //!> states whether we are still signed on to molecule
-  bool IsSignedOn;
+  //!> the Observable we are signed on, also indicates whether we are sign on (not NULL)
+  const Observable * owner;
 
   //!> states that this item needs to be updated

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_atomcount.hpp

@@ -15 +15 @@
 
 #include "UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp"
+
+#include "CodePatterns/ObservedValue.hpp"
 
 #include "Descriptors/MoleculeIdDescriptor.hpp"
@@ -33 +35 @@
       const moleculeId_t _molid,
       emitDirtyState_t _emitDirtyState) :
-        QtMoleculeItem(_molid, channellist_atomcount, QtMoleculeItem::NeedsMove, _emitDirtyState)
+        QtMoleculeItem(_molid, channellist_atomcount, QtMoleculeItem::NeedsMove, _emitDirtyState),
+        molref(getMolecule()),
+        atomcount(
+            molref,
+            boost::bind(&QtMoleculeItem_atomcount::updateAtomCount, this),
+            "MoleculeItem_atomcount_"+toString(_molid),
+            updateAtomCount(),
+            channellist_atomcount)
   {
     // cannot call pure virtual function in QtMoleculeItem's cstor
     internal_updateState();
+  }
+
+  int updateAtomCount() const
+  {
+    const molecule * const mol = getMolecule();
+    if (mol != NULL)
+      return mol->getAtomCount();
+    else
+      return -1;
   }
 
@@ -44 +62 @@
   void internal_updateState()
   {
-    const molecule * mol = const_cast<const World &>(World::getInstance()).
-        getMolecule(MoleculeById(molid));
-    if (mol != NULL)
-      setText(QString::number(mol->getAtomCount()));
-    else
-      setText(QString::number(-1));
+    setText(QString::number(atomcount.get()));
   }
 
   //!> notification channels of molecule specific to this molecule item, required for update
   static const QtMoleculeItem::channellist_t channellist_atomcount;
+
+  //!> temporary value for molecule
+  const molecule * const molref;
+
+  //!> contains visibility state
+  ObservedValue<int> atomcount;
 };
 

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_formula.hpp

@@ -18 +18 @@
 #include <string>
 
+#include "CodePatterns/ObservedValue.hpp"
+
 #include "Descriptors/MoleculeIdDescriptor.hpp"
 #include "Formula.hpp"
@@ -36 +38 @@
       const moleculeId_t _molid,
       emitDirtyState_t _emitDirtyState) :
-        QtMoleculeItem(_molid, channellist_formula, QtMoleculeItem::NeedsMove, _emitDirtyState)
+        QtMoleculeItem(_molid, channellist_formula, QtMoleculeItem::NeedsMove, _emitDirtyState),
+        molref(getMolecule()),
+        formula(
+            molref,
+            boost::bind(&QtMoleculeItem_formula::updateFormula, this),
+            "MoleculeItem_formula_"+toString(_molid),
+            updateFormula(),
+            channellist_formula)
   {
     // cannot call pure virtual function in QtMoleculeItem's cstor
     internal_updateState();
+  }
+
+  std::string updateFormula() const
+  {
+    const molecule * const mol = getMolecule();
+    if (mol != NULL)
+      return mol->getFormula().toString();
+    else
+      return std::string();
   }
 
@@ -47 +65 @@
   void internal_updateState()
   {
-    const molecule * mol = const_cast<const World &>(World::getInstance()).
-        getMolecule(MoleculeById(molid));
-    if (mol != NULL)
-      setText(QString(mol->getFormula().toString().c_str()));
-    else
-      setText(QString(""));
+    setText(QString(formula.get().c_str()));
   }
 
   //!> notification channels of molecule specific to this molecule item, required for update
   static const QtMoleculeItem::channellist_t channellist_formula;
+
+  //!> temporary value for molecule
+  const molecule * const molref;
+
+  //!> contains visibility state
+  ObservedValue<std::string> formula;
 };
 

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_name.hpp

@@ -15 +15 @@
 
 #include "UIElements/Views/Qt4/MoleculeList/QtMoleculeItem.hpp"
+
+#include "CodePatterns/ObservedValue.hpp"
 
 #include "Descriptors/MoleculeIdDescriptor.hpp"
@@ -33 +35 @@
       const moleculeId_t _molid,
       emitDirtyState_t _emitDirtyState) :
-        QtMoleculeItem(_molid, channellist_name, QtMoleculeItem::DoesNotMove, _emitDirtyState)
+        QtMoleculeItem(_molid, channellist_name, QtMoleculeItem::DoesNotMove, _emitDirtyState),
+        molref(getMolecule()),
+        name(
+            molref,
+            boost::bind(&QtMoleculeItem_name::updateName, this),
+            "MoleculeItem_name_"+toString(_molid),
+            updateName(),
+            channellist_name)
   {
     // cannot call pure virtual function in QtMoleculeItem's cstor
     internal_updateState();
+  }
+
+  std::string updateName() const
+  {
+    const molecule * const mol = getMolecule();
+    if (mol != NULL)
+      return mol->getName();
+    else
+      return std::string();
   }
 
@@ -44 +62 @@
   void internal_updateState()
   {
-    const molecule * mol = const_cast<const World &>(World::getInstance()).
-        getMolecule(MoleculeById(molid));
-    if (mol != NULL)
-      setText(QString(mol->getName().c_str()));
-    else
-      setText(QString("to be removed"));
+    setText(QString(name.get().c_str()));
   }
 
   //!> notification channels of molecule specific to this molecule item, required for update
   static const QtMoleculeItem::channellist_t channellist_name;
+
+  //!> temporary value for molecule
+  const molecule * const molref;
+
+  //!> contains visibility state
+  ObservedValue<std::string> name;
 };
 

src/UIElements/Views/Qt4/MoleculeList/SpecificItems/QtMoleculeItem_visibility.hpp

@@ -29 +29 @@
       const moleculeId_t _molid,
       emitDirtyState_t _emitDirtyState) :
-        QtMoleculeItem(_molid, channellist_visibility, QtMoleculeItem::DoesNotMove, _emitDirtyState)
-  {
+        QtMoleculeItem(_molid, channellist_visibility, QtMoleculeItem::DoesNotMove, _emitDirtyState)  {
     setFlags(flags() | Qt::ItemIsUserCheckable);
     setCheckState(Qt::Unchecked);