Changeset e4afb4 for src/Patterns

Timestamp:

Oct 30, 2010, 8:42:44 PM (14 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:

76cec6, c38826

Parents:

23359f

git-author:

Frederik Heber <heber@…> (10/30/10 19:55:54)

git-committer:

Frederik Heber <heber@…> (10/30/10 20:42:44)

Message:

Huge refactoring: Introduction of Traits to Actions.

This change is really big but the introduction of the Trait concept (at least
in its current light form) is so fundamental that lots of pieces had to be
changed in order to get everything working.

The main point why it was necessary to add these traits in the first place was
to comfortably allow for adding extension of Actions information-wise, i.e.
with stuff that is only important for the QtUI, such as icons, or tooltips, ...
This extra information should not be stored with Action itself, as it has
nothing to do with the workings of the Action. And neither should it get
stored with some blown-out-of-proportions MapOfActions class ...

The gist of the change is as follows:

• OptionTrait contains the token, description, shortform and type of an option, such as ("position", "position in space, none, typeid(Vector)).
• ActionTrait is the derived form for actions where additionally MenuPosition and MenuName are stored (and probably more to come for the GUI), also we have a set of OptionTrait instances, one for each option of the Action.
• Action then contains this ActionTrait, specialized for each Action.
• the preprocessor macros have been enhanced to gather all this information from the .def files.
• MapOfActions is gone. Completely. Most of its use was to store this extra information and the ValueStorage part now is just in class ValueStorage.
• ValueStorage is no more an interface to MapOfActions but as the name says a (type-safe) ValueStorage.

Listing the (remaining) changes in alphabetical order of the class:

• Action
  • member value ::name dropped, ::getName() uses ActionTraits::getName()
  • new define NODEFAULT which is used in paramdefaults in .def files
  • all derived actions classes such as Process, Calculations, MakroAction,... have been adapated to use the ActionTrait concept as well.

• ActionHistory
  • extraced RedoAction and UndoAction, shifted implementation into their own object files and they use .def files as well (i.e. streamlined with method used for other actions)

• CommandLineParser
  • CommandLineParser goes through ActionRegistry to get arguments and types to add
  • we use TypeEnumContainer which before was present in MapOfActions, as CommandLineParser::AddOptionsToParser() needs enums in its switch statement, we can't switch on types and types are not known until run-time. Hence, templates won't do either.
  • ShortFormMap is created here now (and used here only)
  • File was moved over to UIElements/CommandLineUI.

• MenuDescription
  • contain information on Menus such as name, ...
  • new unit test checks for consistency

• molecule
  • const member functions: Copy(), Output() and OutputBonds()

• OptionRegistry
  • new registry class for options only
  • we want the same type throughout the code for each token, e.g. "position"
  • the registry containts checks for consistency

• OptionTrait
  • default values are specified in paramdefaults, none are given by NODEFAULT
  • introduced default for translate-atoms, point-correlation, pair-correlation

• Registry pattern
  • new unit test, but only sceleton code so far

• ...Query, also ...Pipe
  • atoms, molecule and elements are now all const
  • also ValueStorage's signatures all have const therein

• ValueStorage
  • set/queryCurrentValue from MapOfActions
  • at times VectorValue has been in .def files where Vector was in the signature. This is cleared. Such stuff is only present for e.g. BoxVector being queried as a Vector. But this is a feature and intended.

• World
  • most of the (un)selection functions now work on const atoms and molecules
  • in one case we need a const_cast to remove this, but this is intentional, as the vector of selected atoms stores non-const pointers and this is ok.

There is only one test which had to be changed slightly because a specific
option token as "position" must now have the same type everywhere, e.g. always
Vector.

• TESTFIX: Simple_configuration/2: --position -> --domain-position (and associated to BoxVector)

Location:

src/Patterns

Files:

• Registry.hpp (modified) (3 diffs)
• Registry_impl.hpp (modified) (6 diffs)

src/Patterns/Registry.hpp

@@ -2 +2 @@
  * Registry.hpp
  *
- *  Based on Registry<Action> by Till Crueger.
+ *  Based on initial ActionRegistry code by Till Crueger.
  *
  *  The registry pattern is basically just a singleton map, wherein instantiations
@@ -21 +21 @@
  * <h1> Registry Howto </h1>
  *
- * The registry is a class where instances of other classes are stored and be retrieved
- * when desired. For this purpose a registry should always be a singleton (i.e. use both
- * this registry and the singleton pattern to declare a registry class). It basically
- * is simply a singleton container of a map, where the pointers to the class instances are
- * stored by a string key and can be retrieved thereby.
+ * The Registry is a class where instances of other classes are stored and be retrieved
+ * by a string token when desired. For this purpose a Registry should always be a singleton
+ * (i.e. use both this Registry and the Singleton pattern to declare a Registry class). It
+ * basically is simply a singleton container of a map, where the pointers to the class
+ * instances are stored by a string key and can be retrieved thereby.
  *
- * The available functions are, if your class to be stored in registry is foo :
+ * The available functions are as follows if your class instances to be stored in Registry
+ * are of type 'foo':
  *
  * - <code>foo* Registry<foo>::getByName()</code> : returns the instance of a specific
@@ -58 +59 @@
   ~Registry();
 
-  T* getByName(const std::string name);
-  bool isPresentByName(const std::string name);
+  typedef typename std::map<const std::string,T*> instance_map;
+  typedef typename std::map<const std::string,T*>::iterator                  iterator;
+  typedef typename std::map<const std::string,T*>::const_iterator            const_iterator;
+
+  T* getByName(const std::string name) const;
+  bool isPresentByName(const std::string name) const;
   void registerInstance(T*);
   void unregisterInstance(T*);
   void cleanup();
 
-  typename std::map<const std::string,T*>::iterator getBeginIter();
-  typename std::map<const std::string,T*>::const_iterator getBeginIter() const;
-  typename std::map<const std::string,T*>::iterator getEndIter();
-  typename std::map<const std::string,T*>::const_iterator getEndIter() const;
+  iterator getBeginIter();
+  const_iterator getBeginIter() const;
+  iterator getEndIter();
+  const_iterator getEndIter() const;
 
 private:
-  typename std::map<const std::string,T*> InstanceMap;
+  instance_map InstanceMap;
 };
 

src/Patterns/Registry_impl.hpp

@@ -15 +15 @@
 
 #include "Helpers/Assert.hpp"
-#include <iosfwd>
+#include <iostream>
 
 /** Constructor for class Registry.
@@ -31 +31 @@
  * \return pointer to instance
  */
-template <class T> T* Registry<T>::getByName(const std::string name){
-  typename std::map<const std::string,T*>::iterator iter;
+template <class T> T* Registry<T>::getByName(const std::string name) const
+{
+  typename std::map<const std::string,T*>::const_iterator iter;
   iter = InstanceMap.find(name);
   ASSERT(iter!=InstanceMap.end(),"Query for an instance not stored in registry");
@@ -41 +42 @@
  * \note This is needed as Registry<T>::getByName() ASSERT()s that instance is in std::map.
  * \param name name of instance
- * \return true - v present, false - instance absent
+ * \return true - present, false - instance absent
  */
-template <class T>bool Registry<T>::isPresentByName(const std::string name){
-  typename std::map<const std::string,T*>::iterator iter;
+template <class T>bool Registry<T>::isPresentByName(const std::string name) const
+{
+  typename std::map<const std::string,T*>::const_iterator iter;
   iter = InstanceMap.find(name);
   return iter!=InstanceMap.end();
@@ -54 +56 @@
 template <class T>void Registry<T>::registerInstance(T* instance){
   std::pair<typename std::map<const std::string,T*>::iterator,bool> ret;
-  //cout << "Trying to register instance with name " << instance->getName() << "." << endl;
+  //std::cout << "Trying to register instance of type " << typeid(T).name() << " with name " << instance->getName() << "." << std::endl;
   ret = InstanceMap.insert(typename std::pair<const std::string,T*>(instance->getName(),instance));
   ASSERT(ret.second,"Two instances with the same name added to registry");
@@ -63 +65 @@
  */
 template <class T>void Registry<T>::unregisterInstance(T* instance){
-  //cout << "Unregistering instance with name " << instance->getName() << "." << endl;
+  //std::cout << "Unregistering instance of type " << typeid(T).name() << " with name " << instance->getName() << "." << std::endl;
   InstanceMap.erase(instance->getName());
 }
@@ -134 +136 @@
  * at a chosen place.
  */
-#define CONSTRUCT_REGISTRY(name) \
-    template name* Registry<name>::getByName(const std::string name); \
-    template bool Registry<name>::isPresentByName(const std::string name); \
-    template void Registry<name>::registerInstance(name*); \
-    template void Registry<name>::unregisterInstance(name*); \
-    template std::map<const std::string,name*>::iterator Registry<name>::getBeginIter(); \
-    template std::map<const std::string,name*>::const_iterator Registry<name>::getBeginIter() const; \
-    template std::map<const std::string,name*>::iterator Registry<name>::getEndIter(); \
-    template std::map<const std::string,name*>::const_iterator Registry<name>::getEndIter() const;
+#define CONSTRUCT_REGISTRY(InstanceType) \
+    template InstanceType* Registry<InstanceType>::getByName(const std::string) const; \
+    template bool Registry<InstanceType>::isPresentByName(const std::string) const; \
+    template void Registry<InstanceType>::registerInstance(InstanceType*); \
+    template void Registry<InstanceType>::unregisterInstance(InstanceType*); \
+    template std::map<const std::string,InstanceType*>::iterator Registry<InstanceType>::getBeginIter(); \
+    template std::map<const std::string,InstanceType*>::const_iterator Registry<InstanceType>::getBeginIter() const; \
+    template std::map<const std::string,InstanceType*>::iterator Registry<InstanceType>::getEndIter(); \
+    template std::map<const std::string,InstanceType*>::const_iterator Registry<InstanceType>::getEndIter() const;