Ignore:
Timestamp:
Oct 30, 2010, 8:42:44 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, 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:
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)
  • 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)
File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Patterns/Registry_impl.hpp

    r23359f re4afb4  
    1515
    1616#include "Helpers/Assert.hpp"
    17 #include <iosfwd>
     17#include <iostream>
    1818
    1919/** Constructor for class Registry.
     
    3131 * \return pointer to instance
    3232 */
    33 template <class T> T* Registry<T>::getByName(const std::string name){
    34   typename std::map<const std::string,T*>::iterator iter;
     33template <class T> T* Registry<T>::getByName(const std::string name) const
     34{
     35  typename std::map<const std::string,T*>::const_iterator iter;
    3536  iter = InstanceMap.find(name);
    3637  ASSERT(iter!=InstanceMap.end(),"Query for an instance not stored in registry");
     
    4142 * \note This is needed as Registry<T>::getByName() ASSERT()s that instance is in std::map.
    4243 * \param name name of instance
    43  * \return true - v present, false - instance absent
     44 * \return true - present, false - instance absent
    4445 */
    45 template <class T>bool Registry<T>::isPresentByName(const std::string name){
    46   typename std::map<const std::string,T*>::iterator iter;
     46template <class T>bool Registry<T>::isPresentByName(const std::string name) const
     47{
     48  typename std::map<const std::string,T*>::const_iterator iter;
    4749  iter = InstanceMap.find(name);
    4850  return iter!=InstanceMap.end();
     
    5456template <class T>void Registry<T>::registerInstance(T* instance){
    5557  std::pair<typename std::map<const std::string,T*>::iterator,bool> ret;
    56   //cout << "Trying to register instance with name " << instance->getName() << "." << endl;
     58  //std::cout << "Trying to register instance of type " << typeid(T).name() << " with name " << instance->getName() << "." << std::endl;
    5759  ret = InstanceMap.insert(typename std::pair<const std::string,T*>(instance->getName(),instance));
    5860  ASSERT(ret.second,"Two instances with the same name added to registry");
     
    6365 */
    6466template <class T>void Registry<T>::unregisterInstance(T* instance){
    65   //cout << "Unregistering instance with name " << instance->getName() << "." << endl;
     67  //std::cout << "Unregistering instance of type " << typeid(T).name() << " with name " << instance->getName() << "." << std::endl;
    6668  InstanceMap.erase(instance->getName());
    6769}
     
    134136 * at a chosen place.
    135137 */
    136 #define CONSTRUCT_REGISTRY(name) \
    137     template name* Registry<name>::getByName(const std::string name); \
    138     template bool Registry<name>::isPresentByName(const std::string name); \
    139     template void Registry<name>::registerInstance(name*); \
    140     template void Registry<name>::unregisterInstance(name*); \
    141     template std::map<const std::string,name*>::iterator Registry<name>::getBeginIter(); \
    142     template std::map<const std::string,name*>::const_iterator Registry<name>::getBeginIter() const; \
    143     template std::map<const std::string,name*>::iterator Registry<name>::getEndIter(); \
    144     template std::map<const std::string,name*>::const_iterator Registry<name>::getEndIter() const;
     138#define CONSTRUCT_REGISTRY(InstanceType) \
     139    template InstanceType* Registry<InstanceType>::getByName(const std::string) const; \
     140    template bool Registry<InstanceType>::isPresentByName(const std::string) const; \
     141    template void Registry<InstanceType>::registerInstance(InstanceType*); \
     142    template void Registry<InstanceType>::unregisterInstance(InstanceType*); \
     143    template std::map<const std::string,InstanceType*>::iterator Registry<InstanceType>::getBeginIter(); \
     144    template std::map<const std::string,InstanceType*>::const_iterator Registry<InstanceType>::getBeginIter() const; \
     145    template std::map<const std::string,InstanceType*>::iterator Registry<InstanceType>::getEndIter(); \
     146    template std::map<const std::string,InstanceType*>::const_iterator Registry<InstanceType>::getEndIter() const;
    145147
    146148
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