Changeset 0b0a20 for src/Actions/MapOfActions.hpp

Timestamp:

Jul 23, 2010, 5:30:57 PM (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:

85f35e

Parents:

dde125

Message:

Inserted all possible queries into MapOfActions.

• MapOfActions::query/setCurrentValue(): only special classes such as atom, Box, element, molecule, Vector need a specialization of the template.
• also added missing MissingValueException files.

File:

• src/Actions/MapOfActions.hpp (modified) (5 diffs)

src/Actions/MapOfActions.hpp

@@ -135 +135 @@
   friend class MapOfActionsTest;
 public:
-  enum OptionTypes { None, Boolean, Integer, ListOfInts, Double, ListOfDoubles, String, ListOfString, Axis, Vector, Box, Molecule, ListOfMolecules, Atom, ListOfAtoms, Element, ListOfElements };
+  enum OptionTypes { None, Boolean, Integer, ListOfIntegers, Double, ListOfDoubles, String, ListOfStrings, Vector, ListOfVectors, Box, Molecule, ListOfMolecules, Atom, ListOfAtoms, Element, ListOfElements };
 
   // getter for the action descriptions and short forms
@@ -167 +167 @@
   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<std::string>&_T);
+  void queryCurrentValue(const char * name, std::vector<molecule *>&_T);
   template<typename T> void queryCurrentValue(const char * name, T &_T)
   {
@@ -179 +180 @@
       throw IllegalTypeException(__FILE__,__LINE__);
   }
+  template<typename T> void queryCurrentValue(const char * name, std::vector<T> &_T)
+  {
+    T temp;
+    if (typeid( std::vector<T> ) == *TypeMap[name]) { // constructor of type_info is private, hence can only store by ref or ptr
+      if (CurrentValue.find(name) == CurrentValue.end())
+        throw MissingValueException(__FILE__, __LINE__);
+      std::istringstream stream(CurrentValue[name]);
+      CurrentValue.erase(name);
+      while (!stream.fail()) {
+        stream >> temp >> std::ws;
+        _T.push_back(temp);
+      }
+    } else
+      throw IllegalTypeException(__FILE__,__LINE__);
+  }
 
   void setCurrentValue(const char * name, class atom * &_T);
@@ -185 +201 @@
   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<std::string>&_T);
+  void setCurrentValue(const char * name, std::vector<molecule *>&_T);
   template<class T> void setCurrentValue(const char * name, T &_T)
   {
@@ -192 +209 @@
     if (typeid( T ) == *TypeMap[name]) {  // constructor of type_info is private, hence can only store by ref or ptr
       stream << _T;
+      CurrentValue[name] = stream.str();
+    } else
+      throw IllegalTypeException(__FILE__,__LINE__);
+  }
+  template<class T> void setCurrentValue(const char * name, std::vector<T> &_T)
+  {
+    std::ostringstream stream;
+    if (typeid( std::vector<T> ) == *TypeMap[name]) {  // constructor of type_info is private, hence can only store by ref or ptr
+      std::ostringstream stream;
+      for (std::vector<std::string>::iterator iter = _T.begin(); iter != _T.end(); ++iter) {
+        stream << (*iter) << " ";
+      }
       CurrentValue[name] = stream.str();
     } else