Changeset e5c0a1 for src/Actions

Timestamp:

Aug 6, 2010, 2:01:13 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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, Candidate_v1.7.0, 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:

822f01

Parents:

2a76b0

Message:

Made the periodentafel return only "const element *" instead of "element * const", to avoid unexpected changes to stored elements

• Note: returning "type * const" from a function does not make sense, since the pointer has to be copied anyway (calling convention), so the calling function can just do another copy to get a non const version of the pointer

Location:

src/Actions

Files:

• AnalysisAction/PairCorrelationAction.cpp (modified) (1 diff)
• AnalysisAction/PointCorrelationAction.cpp (modified) (2 diffs)
• AnalysisAction/SurfaceCorrelationAction.cpp (modified) (1 diff)
• AtomAction/AddAction.cpp (modified) (1 diff)
• AtomAction/ChangeElementAction.cpp (modified) (1 diff)
• MapOfActions.cpp (modified) (8 diffs)
• MapOfActions.hpp (modified) (2 diffs)

src/Actions/AnalysisAction/PairCorrelationAction.cpp

@@ -76 +76 @@
   ofstream output;
   ofstream binoutput;
-  std::vector< element *> elements;
+  std::vector<const element *> elements;
   string type;
   Vector Point;

src/Actions/AnalysisAction/PointCorrelationAction.cpp

@@ -77 +77 @@
   ofstream output;
   ofstream binoutput;
-  std::vector< element *> elements;
+  std::vector<const element *> elements;
   string type;
   Vector Point;
@@ -97 +97 @@
   cout << "Point to correlate to is  " << Point << endl;
   CorrelationToPointMap *correlationmap = NULL;
-  for(std::vector< element *>::iterator iter = elements.begin(); iter != elements.end(); ++iter)
+  for(std::vector<const element *>::iterator iter = elements.begin(); iter != elements.end(); ++iter)
     cout << "element is " << (*iter)->getSymbol() << endl;
   std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();

src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp

@@ -78 +78 @@
   ofstream output;
   ofstream binoutput;
-  std::vector< element *> elements;
+  std::vector<const element *> elements;
   string type;
   Vector Point;

src/Actions/AtomAction/AddAction.cpp

@@ -52 +52 @@
 
 Action::state_ptr AtomAddAction::performCall() {
-  element * elemental = NULL;
+  const element * elemental = NULL;
   Vector position;
 

src/Actions/AtomAction/ChangeElementAction.cpp

@@ -50 +50 @@
 Action::state_ptr AtomChangeElementAction::performCall() {
   atom *first = NULL;
-  element *elemental = NULL;
+  const element *elemental = NULL;
 
   ValueStorage::getInstance().queryCurrentValue(NAME, elemental);

src/Actions/MapOfActions.cpp

@@ -292 +292 @@
 
   // value types for the actions
-  TypeMap["add-atom"] = &typeid(element);
+  TypeMap["add-atom"] = &typeid(const element);
   TypeMap["bond-file"] = &typeid(std::string);
   TypeMap["bond-table"] = &typeid(std::string);
@@ -298 +298 @@
   TypeMap["center-in-box"] = &typeid(BoxValue);
   TypeMap["change-box"] = &typeid(BoxValue);
-  TypeMap["change-element"] = &typeid(element);
+  TypeMap["change-element"] = &typeid(const element);
   TypeMap["change-molname"] = &typeid(std::string);
   TypeMap["convex-envelope"] = &typeid(void);
@@ -342 +342 @@
   TypeMap["distances"] = &typeid(VectorValue);
   TypeMap["DoRotate"] = &typeid(bool);
-  TypeMap["element"] = &typeid(element);
-  TypeMap["elements"] = &typeid(std::vector<element *>);
+  TypeMap["element"] = &typeid(const element);
+  TypeMap["elements"] = &typeid(std::vector<const element *>);
   TypeMap["end-step"] = &typeid(int);
   TypeMap["id-mapping"] = &typeid(bool);
@@ -380 +380 @@
   TypeEnumMap[&typeid(atom)] = Atom;
   TypeEnumMap[&typeid(std::vector<atom *>)] = ListOfAtoms;
-  TypeEnumMap[&typeid(element)] = Element;
-  TypeEnumMap[&typeid(std::vector<element *>)] = ListOfElements;
+  TypeEnumMap[&typeid(const element)] = Element;
+  TypeEnumMap[&typeid(std::vector<const element *>)] = ListOfElements;
 
   // default values for any action that needs one (always string!)
@@ -558 +558 @@
 }
 
-void MapOfActions::queryCurrentValue(const char * name, class element * &_T)  {
+void MapOfActions::queryCurrentValue(const char * name, const element * &_T)  {
   int Z = -1;
-  if (typeid( element ) == *TypeMap[name]) {
+  if (typeid(const element ) == *TypeMap[name]) {
     if (CurrentValue.find(name) == CurrentValue.end())
       throw MissingValueException(__FILE__, __LINE__);
@@ -642 +642 @@
 }
 
-void MapOfActions::queryCurrentValue(const char * name, std::vector<element *>&_T)
+void MapOfActions::queryCurrentValue(const char * name, std::vector<const element *>&_T)
 {
   int Z = -1;
-  element *elemental = NULL;
-  if (typeid( std::vector<element *> ) == *TypeMap[name]) {
+  const element *elemental = NULL;
+  if (typeid( std::vector<const element *> ) == *TypeMap[name]) {
     if (CurrentValue.find(name) == CurrentValue.end())
       throw MissingValueException(__FILE__, __LINE__);
@@ -694 +694 @@
 }
 
-void MapOfActions::setCurrentValue(const char * name, class element * &_T)
-{
-  if (typeid( element ) == *TypeMap[name]) {
+void MapOfActions::setCurrentValue(const char * name, const element * &_T)
+{
+  if (typeid(const element ) == *TypeMap[name]) {
     std::ostringstream stream;
     stream << _T->Z;
@@ -754 +754 @@
 }
 
-void MapOfActions::setCurrentValue(const char * name, std::vector<element *>&_T)
-{
-  if (typeid( std::vector<element *> ) == *TypeMap[name]) {
+void MapOfActions::setCurrentValue(const char * name, std::vector<const element *>&_T)
+{
+  if (typeid( std::vector<const element *> ) == *TypeMap[name]) {
     std::ostringstream stream;
-    for (std::vector<element *>::iterator iter = _T.begin(); iter != _T.end(); ++iter) {
+    for (std::vector<const element *>::iterator iter = _T.begin(); iter != _T.end(); ++iter) {
       stream << (*iter)->Z << " ";
     }

src/Actions/MapOfActions.hpp

@@ -163 +163 @@
 
   void queryCurrentValue(const char * name, class atom * &_T);
-  void queryCurrentValue(const char * name, class element * &_T);
+  void queryCurrentValue(const char * name, const element * &_T);
   void queryCurrentValue(const char * name, class molecule * &_T);
   void queryCurrentValue(const char * name, class Box &_T);
   void queryCurrentValue(const char * name, class Vector &_T);
   void queryCurrentValue(const char * name, std::vector<atom *>&_T);
-  void queryCurrentValue(const char * name, std::vector<element *>&_T);
+  void queryCurrentValue(const char * name, std::vector<const element *>&_T);
   void queryCurrentValue(const char * name, std::vector<molecule *>&_T);
   template<typename T> void queryCurrentValue(const char * name, T &_T)
@@ -197 +197 @@
 
   void setCurrentValue(const char * name, class atom * &_T);
-  void setCurrentValue(const char * name, class element * &_T);
+  void setCurrentValue(const char * name, const element * &_T);
   void setCurrentValue(const char * name, class molecule * &_T);
   void setCurrentValue(const char * name, class Box &_T);
   void setCurrentValue(const char * name, class Vector &_T);
   void setCurrentValue(const char * name, std::vector<atom *>&_T);
-  void setCurrentValue(const char * name, std::vector<element *>&_T);
+  void setCurrentValue(const char * name, std::vector<const element *>&_T);
   void setCurrentValue(const char * name, std::vector<molecule *>&_T);
   template<class T> void setCurrentValue(const char * name, T &_T)