Changeset f6abb1 for src/Potentials

Timestamp:

May 7, 2016, 7:03:56 AM (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_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:

fde8e7

Parents:

086e30

git-author:

Frederik Heber <heber@…> (02/27/16 13:09:08)

git-committer:

Frederik Heber <heber@…> (05/07/16 07:03:56)

Message:

PotentialFactory now also complies to templated StreamFactory.

• this is required for abstracting RegistryDeserializer.

Location:

src/Potentials

Files:

• Makefile.am (modified) (2 diffs)
• PotentialDeserializer.cpp (modified) (1 diff)
• PotentialFactory.cpp (modified) (3 diffs)
• PotentialFactory.hpp (modified) (4 diffs)
• StreamFactory_EmpiricalPotential.cpp (added)
• StreamFactory_EmpiricalPotential.hpp (added)

src/Potentials/Makefile.am

@@ -29 +29 @@
   Potentials/Specifics/PairPotential_Morse.cpp \
   Potentials/Specifics/PotentialTypes.cpp \
-  Potentials/Specifics/ThreeBodyPotential_Angle.cpp
+  Potentials/Specifics/ThreeBodyPotential_Angle.cpp \
+  Potentials/StreamFactory_EmpiricalPotential.cpp
 
 POTENTIALSHEADER = \
@@ -57 +58 @@
   Potentials/Specifics/PotentialTypes.def \
   Potentials/Specifics/PotentialTypes.undef \
-  Potentials/StreamFactory.hpp
+  Potentials/StreamFactory.hpp \
+  Potentials/StreamFactory_EmpiricalPotential.hpp
 
 if CONDLEVMAR

src/Potentials/PotentialDeserializer.cpp

@@ -62 +62 @@
       // instantiate type
       EmpiricalPotential *potential =
-          PotentialFactory::getInstance().createInstance(
-              token, potentialstream);
+          static_cast<StreamFactory<EmpiricalPotential>&>(PotentialFactory::getInstance()).
+              createInstance(token, potentialstream);
 
       // and register

src/Potentials/PotentialFactory.cpp

@@ -96 +96 @@
 #include "Potentials/Specifics/PotentialTypes.undef"
 
+enum PotentialTypes PotentialFactory::getTypeForName(const std::string &_name)
+{
+  ASSERT (NameToType.count(_name),
+      "PotentialFactory::getTypeForName() - cannot find potential of name "+_name);
+  return NameToType[_name];
+}
+
+const std::string & PotentialFactory::getNameForType(enum PotentialTypes _type)
+{
+  ASSERT (TypeToName.count(_type),
+      "PotentialFactory::getNameForType() - cannot find potential of name "+_type);
+  return TypeToName[_type];
+}
+
 EmpiricalPotential *PotentialFactory::createInstance(
     const std::string &potentialtype,
     const SerializablePotential::ParticleTypes_t &types) const
 {
-  ASSERT (NameToType.count(potentialtype),
-      "PotentialFactory::createInstance() - cannot find potential of name "+potentialtype);
-  switch (NameToType[potentialtype]) {
+  switch (getTypeForName(potentialtype)) {
   case constant:
       return new ConstantPotential(types);
@@ -125 +137 @@
 }
 
-EmpiricalPotential *PotentialFactory::createInstance(
-    const std::string &potentialtype,
-    std::istream &serialized) const
+EmpiricalPotential* PotentialFactory::getDefaultPotential(const std::string &_name) const
 {
   EmpiricalPotential *potential = NULL;
-  ASSERT (NameToType.count(potentialtype),
-      "PotentialFactory::createInstance() - cannot find potential of name "+potentialtype);
-  switch (NameToType[potentialtype]) {
+  switch (getTypeForName(_name)) {
   case constant:
     potential = new ConstantPotential();
@@ -161 +169 @@
     break;
   }
-  // now stream in types and parameters
-  potential->stream_from(serialized);
-
   return potential;
 }

src/Potentials/PotentialFactory.hpp

@@ -21 +21 @@
 #include "Potentials/EmpiricalPotential.hpp"
 #include "Potentials/Specifics/PotentialTypes.hpp"
+#include "Potentials/StreamFactory_EmpiricalPotential.hpp"
 
 /** Class that creates instances of potentials.
@@ -27 +28 @@
  *
  */
-class PotentialFactory : public Singleton<PotentialFactory>
+class PotentialFactory :
+    public Singleton<PotentialFactory>,
+    public StreamFactory<EmpiricalPotential>
 {
   //!> make Singleton template friend
   friend class Singleton<PotentialFactory>;
 
+protected:
+
+  /** Returns a default potential to which only we have access.
+   *
+   */
+  EmpiricalPotential* getDefaultPotential(const std::string &_name) const;
+
 public:
+
   /** Creates an instance of the requested potential.
    *
@@ -41 +52 @@
       const std::string &potentialtype,
       const SerializablePotential::ParticleTypes_t &charges) const;
-
-  /** Creates an instance of the requested potential.
-   *
-   * \param potentialtype key of potential to create
-   * \param serialized stream to parser SerializablePotential from
-   */
-  EmpiricalPotential *createInstance(
-      const std::string &potentialtype,
-      std::istream &serialized) const;
 
   //!> typedef for map to lookup type for a given name
@@ -63 +65 @@
   static TypeToName_t TypeToName;
 
+  static enum PotentialTypes getTypeForName(const std::string &_name);
+
+  static const std::string & getNameForType(enum PotentialTypes _type);
+
 private:
   PotentialFactory() {}