Changeset 732507 for src

Timestamp:

Sep 19, 2013, 8:22:55 PM (11 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:

628577

Parents:

1e5f84

git-author:

Frederik Heber <heber@…> (09/17/13 13:11:19)

git-committer:

Frederik Heber <heber@…> (09/19/13 20:22:55)

Message:

SpecificFragmentController now contains template ResultContainer.

• Results are received as soon as possible (so far we waited until all are done).
• Results are converted directly and stored in map with JobId's with specific result type internally.
• NOTE: each specific controller needs to implement a getter, the member variable of the ResultContainer type and the virtual waitForResults() which just redirects to ResultContainer::waitForResults().

Location:

src/Fragmentation/Automation

Files:

• MPQCFragmentController.hpp (modified) (3 diffs)
• Makefile.am (modified) (1 diff)
• SpecificFragmentController.cpp (modified) (1 diff)
• SpecificFragmentController.hpp (modified) (3 diffs)
• SpecificFragmentController_ResultContainer_impl.hpp (added)
• SpecificFragmentController_impl.hpp (deleted)
• VMGDebugGridFragmentController.hpp (modified) (1 diff)
• VMGFragmentController.hpp (modified) (2 diffs)

src/Fragmentation/Automation/MPQCFragmentController.hpp

@@ -50 +50 @@
       );
 
+  void waitforResults(const size_t NoExpectedResults)
+  { results.waitforResults(NoExpectedResults, io_service, *this); }
+
   /** Get results map of calculated jobs.
    *
@@ -55 +58 @@
    */
   void getResults(std::map<JobId_t, MPQCData> &fragmentData) {
-    SpecificFragmentController::getResults<MPQCData>(fragmentData);
+    fragmentData = results.IdData;
+    results.clear();
   }
 
@@ -63 +67 @@
    */
   void run();
+
+private:
+  //!> type-specific result container
+  SpecificFragmentController::ResultContainer<MPQCData> results;
 };
 

src/Fragmentation/Automation/Makefile.am

@@ -17 +17 @@
         Fragmentation/Automation/MPQCFragmentController.hpp \
         Fragmentation/Automation/SpecificFragmentController.hpp \
-        Fragmentation/Automation/SpecificFragmentController_impl.hpp
+        Fragmentation/Automation/SpecificFragmentController_ResultContainer_impl.hpp
         
 if CONDVMG

src/Fragmentation/Automation/SpecificFragmentController.cpp

@@ -56 +56 @@
   RunService("Requesting ids");
 }
-
-void SpecificFragmentController::waitforResults(const size_t NoExpectedResults)
-{
-  size_t NoCalculatedResults = 0;
-  while (NoCalculatedResults != NoExpectedResults) {
-    // wait a bit
-    boost::asio::deadline_timer timer(io_service);
-    timer.expires_from_now(boost::posix_time::milliseconds(500));
-    timer.wait();
-    // then request status
-    FragmentController::checkResults(host, port);
-    RunService("Checking on results");
-
-    const std::pair<size_t, size_t> JobStatus = FragmentController::getJobStatus();
-    LOG(1, "INFO: #" << JobStatus.first << " are waiting in the queue and #" << JobStatus.second << " jobs are calculated so far.");
-    NoCalculatedResults = JobStatus.second;
-  }
-}
-

src/Fragmentation/Automation/SpecificFragmentController.hpp

@@ -39 +39 @@
 
   void requestIds(const size_t numberjobs);
-  void waitforResults(const size_t NoExpectedResults);
+  virtual void waitforResults(const size_t NoExpectedResults)=0;
   void RunService(const std::string message);
 
@@ -48 +48 @@
 
 protected:
-  template <typename T>
-  void getResults(std::map<JobId_t, T> &IdData);
 
-private:
-  /** Extracts specific Data type from received vector of FragmentResults.
+  /** Container for the results received from the server.
    *
-   * @param results results to extract specific Data type from
-   * @param fragmentData on return array filled with extracted specific Data type
+   * These are received bit by bit until all jobs are calculated.
+   * This struct takes of the waiting.
+   *
    */
   template <typename T>
-  void ConvertFragmentResultTo(
-      const std::vector<FragmentResult::ptr> &results,
-      std::vector<T> &fragmentData);
+  struct ResultContainer {
+    /** cycle to wait for results
+     *
+     * \param NoExpectedResults number of expected results
+     * \param io_service service used for waiting
+     * \param callback ref to call controller functions
+     */
+    void waitforResults(
+        const size_t NoExpectedResults,
+        boost::asio::io_service &io_service,
+        SpecificFragmentController &callback);
+
+    /** Internal function to receive results if some are present.
+     *
+     * \param callback ref to call controller functions
+     * \return number of received results
+     */
+    size_t receiveResults(SpecificFragmentController &callback);
+
+    /** Extracts specific Data type from received vector of FragmentResults.
+     *
+     * @param results results to extract specific Data type from
+     * @param fragmentData on return array filled with extracted specific Data type
+     */
+    void ConvertFragmentResultTo(
+        const std::vector<FragmentResult::ptr> &results,
+        std::vector<T> &fragmentData);
+
+    /** Clears all internally stored results.
+     *
+     */
+    void clear()
+    { IdData.clear(); }
+
+    //!> internal container for the received data
+    std::map<JobId_t, T> IdData;
+  };
 
 protected:
@@ -67 +99 @@
   //!> port of the server to control
   std::string port;
-private:
   //!> reference to io_service for internal purposes
   boost::asio::io_service &io_service;
 };
 
-#include "SpecificFragmentController_impl.hpp"
+#include "SpecificFragmentController_ResultContainer_impl.hpp"
 
 #endif /* SPECIFICFRAGMENTCONTROLLER_HPP_ */

src/Fragmentation/Automation/VMGDebugGridFragmentController.hpp

@@ -44 +44 @@
       const bool _OpenBoundaryConditions = false);
 
+  void waitforResults(const size_t NoExpectedResults)
+  { results.waitforResults(NoExpectedResults, io_service, *this); }
+
   // there are no results but server has empty string nonetheless
   void getResults(std::map<JobId_t, std::string> &fragmentData) {
-    SpecificFragmentController::getResults<std::string>(fragmentData);
+    fragmentData = results.IdData;
+    results.clear();
   }
+
+private:
+  //!> type-specific result container
+  SpecificFragmentController::ResultContainer<std::string> results;
 };
 

src/Fragmentation/Automation/VMGFragmentController.hpp

@@ -75 +75 @@
       const bool _OpenBoundaryConditions = false);
 
+  void waitforResults(const size_t NoExpectedResults)
+  { results.waitforResults(NoExpectedResults, io_service, *this); }
+
   /** Get results of finished long-range jobs.
    *
@@ -80 +83 @@
    */
   void getResults(std::map<JobId_t, VMGData> &fragmentData) {
-    SpecificFragmentController::getResults<VMGData>(fragmentData);
+    fragmentData = results.IdData;
+    results.clear();
   }
+
+private:
+  //!> type-specific result container
+  SpecificFragmentController::ResultContainer<VMGData> results;
 };