Changeset 12d15a for src/Fragmentation

Timestamp:

May 4, 2012, 2:19:06 PM (13 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:

b0b64c

Parents:

57876b

git-author:

Frederik Heber <heber@…> (10/23/11 21:24:18)

git-committer:

Frederik Heber <heber@…> (05/04/12 14:19:06)

Message:

FragmentQueue now allows for removal of jobs.

• new static NoResultQueued states whether job has been popped, but result is missing so far.
• extended FragmentQueueUnitTest.

Location:

src/Fragmentation/Automation

Files:

• FragmentQueue.cpp (modified) (6 diffs)
• FragmentQueue.hpp (modified) (2 diffs)
• unittests/FragmentQueueUnitTest.cpp (modified) (4 diffs)

src/Fragmentation/Automation/FragmentQueue.cpp

@@ -25 +25 @@
 
 FragmentResult FragmentQueue::NoResult(-1);
-FragmentResult FragmentQueue::ResultDelivered(-2);
+FragmentResult FragmentQueue::NoResultQueued(-2);
+FragmentResult FragmentQueue::ResultDelivered(-3);
 
 /** Constructor for class FragmentQueue.
@@ -39 +40 @@
 {}
 
+/** Checks whether there are jobs in the queue at all.
+ * \return true - jobs present, false - queue is empty
+ */
+bool FragmentQueue::isJobPresent() const
+{
+  return !jobs.empty();
+}
+
 /** Pushes a FragmentJob into the internal queue for delivery to server.
  *
@@ -51 +60 @@
   ASSERT(!results.count(job.getId()),
       "FragmentQueue::pushJob() - job id "+toString(job.getId())+" has already been used.");
+  results.insert( std::make_pair(job.getId(), NoResult));
   jobs.push_back(job);
-  results.insert( std::make_pair(job.getId(), NoResult));
+}
+
+/** Pops top-most FragmentJob from internal queue.
+ *
+ * From here on, we expect a result in FragmentQueue::results.
+ *
+ * \return job topmost job from queue
+ */
+FragmentJob FragmentQueue::popJob()
+{
+  ASSERT(jobs.size(),
+      "FragmentQueue::popJob() - there are no jobs on the queue.");
+  FragmentJob job = jobs.front();
+  ResultMap::iterator iter = results.find(job.getId());
+  ASSERT(iter != results.end(),
+      "FragmentQueue::popJob() - for job "+toString(job.getId())+" no result place has been stored.");
+  iter->second = NoResultQueued;
+  jobs.pop_front();
+  return job;
 }
 
@@ -65 +93 @@
   return ((iter != results.end())
       && (iter->second != NoResult)
+      && (iter->second != NoResultQueued)
       && (iter->second != ResultDelivered));
 }
@@ -81 +110 @@
       "FragmentQueue::pushResult() - job "+toString(jobid)+" is not known to us.");
   ASSERT(iter->second != NoResult,
-      "FragmentQueue::pushResult() - job "+toString(jobid)+"'s result has not arrived yet.");
+      "FragmentQueue::pushResult() - job "+toString(jobid)+" has not been request for calculation yet.");
+  ASSERT(iter->second != NoResultQueued,
+      "FragmentQueue::pushResult() - job "+toString(jobid)+"'s calculation is underway but not result has arrived yet.");
   ASSERT(iter->second != ResultDelivered,
       "FragmentQueue::pushResult() - job "+toString(jobid)+"'s result has already been delivered.");
@@ -104 +135 @@
   ASSERT(iter != results.end(),
       "FragmentQueue::pushResult() - job "+toString(result.getId())+" is not known to us.");
-  ASSERT(iter->second == NoResult,
+  ASSERT(iter->second == NoResultQueued,
       "FragmentQueue::pushResult() - is not waiting for the result of job "+toString(result.getId())+".");
   /// and overwrite NoResult in found entry

src/Fragmentation/Automation/FragmentQueue.hpp

@@ -36 +36 @@
   // entering jobs into queue
   void pushJob(FragmentJob &job);
+  FragmentJob popJob();
+  bool isJobPresent() const;
 
   // querying for results
@@ -42 +44 @@
   void pushResult(FragmentResult &result);
 
-
 private:
+  //!> result that takes place in ResultQueue after job has arrived before it has been popped.
+  static FragmentResult NoResult;
   //!> result that takes place in ResultQueue until real result has arrived.
-  static FragmentResult NoResult;
+  static FragmentResult NoResultQueued;
   //!> result that takes place in ResultQueue after real result has been delivered.
   static FragmentResult ResultDelivered;

src/Fragmentation/Automation/unittests/FragmentQueueUnitTest.cpp

@@ -66 +66 @@
   testJob.outputfile = std::string("do something");
 
+  CPPUNIT_ASSERT_EQUAL(false, queue->isJobPresent() );
+
 #ifndef NDEBUG
   CPPUNIT_ASSERT_NO_THROW( queue->pushJob(testJob) );
@@ -73 +75 @@
 
   CPPUNIT_ASSERT_EQUAL((size_t)1, queue->jobs.size());
+  CPPUNIT_ASSERT_EQUAL(true, queue->isJobPresent() );
+  CPPUNIT_ASSERT_EQUAL((size_t)1, queue->results.size());
+  FragmentQueue::ResultMap::const_iterator iter = queue->results.find((JobId_t)1);
+  CPPUNIT_ASSERT( iter != queue->results.end() );
+  CPPUNIT_ASSERT( FragmentQueue::NoResult == iter->second );
 
   // push same id again
@@ -81 +88 @@
 
   CPPUNIT_ASSERT_EQUAL((size_t)1, queue->jobs.size());
+  CPPUNIT_ASSERT_EQUAL((size_t)1, queue->results.size());
+
+  FragmentJob poppedJob;
+#ifndef NDEBUG
+  CPPUNIT_ASSERT_NO_THROW( poppedJob = queue->popJob() );
+#else
+  poppedJob = queue->popJob();
+#endif
+  CPPUNIT_ASSERT( poppedJob == testJob );
+
+  CPPUNIT_ASSERT_EQUAL((size_t)0, queue->jobs.size());
+  CPPUNIT_ASSERT_EQUAL(false, queue->isJobPresent() );
+  CPPUNIT_ASSERT_EQUAL((size_t)1, queue->results.size());
+  iter = queue->results.find((JobId_t)1);
+  CPPUNIT_ASSERT( iter != queue->results.end() );
+  CPPUNIT_ASSERT( FragmentQueue::NoResultQueued == iter->second );
+
+#ifndef NDEBUG
+  std::cout << "The following assertion is intended and does not indicate a failure." << std::endl;
+  CPPUNIT_ASSERT_THROW( queue->popJob(), Assert::AssertionFailure );
+#endif
 }
 
@@ -91 +119 @@
   testJob.setId(1);
   testJob.outputfile = std::string("do something");
+#ifndef NDEBUG
+  CPPUNIT_ASSERT_NO_THROW( queue->pushJob(testJob) );
+#else
   queue->pushJob(testJob);
+#endif
+#ifndef NDEBUG
+  CPPUNIT_ASSERT_NO_THROW( queue->popJob() );
+#else
+  queue->popJob();
+#endif
+
 
   // prepare a result