Changeset 0bfe73

Timestamp:

Feb 10, 2011, 7:07:17 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:

b6b3b2

Parents:

acd638 (diff), c14c78 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'RandomNumber_fixes' into stable

Location:

src

Files:

• Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp (modified) (1 diff)
• RandomNumbers/RandomNumberDistributionFactory.hpp (modified) (2 diffs)
• RandomNumbers/RandomNumberDistribution_Parameters.cpp (modified) (1 diff)
• RandomNumbers/RandomNumberEngineFactory.hpp (modified) (2 diffs)
• RandomNumbers/RandomNumberEngine_Parameters.cpp (modified) (1 diff)
• RandomNumbers/RandomNumberGeneratorFactory.hpp (modified) (1 diff)
• RandomNumbers/unittests/RandomNumberEngineFactoryUnitTest.cpp (modified) (1 diff)

src/Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp

@@ -59 +59 @@
   // set each parameter (that is not -1);
   if (!params.parameters.isDefault()) {
-    RandomNumberDistribution_Parameters *oldparameters =
+    RandomNumberDistribution_Parameters *currentparameters =
         RandomNumberDistributionFactory::getInstance().getPrototype().getParameterSet();
-    oldparameters->update(params.parameters);
+    currentparameters->update(params.parameters);
     DoLog(1) && (Log() << Verbose(1) << "Changing prototype's parameters to "
         << params.parameters << "." << std::endl);
-    RandomNumberDistributionFactory::getInstance().manipulatePrototype(*oldparameters);
+    RandomNumberDistributionFactory::getInstance().manipulatePrototype(*currentparameters);
+    delete currentparameters;
   }
 

src/RandomNumbers/RandomNumberDistributionFactory.hpp

@@ -16 +16 @@
 #include "CodePatterns/Singleton.hpp"
 
+#include "RandomNumberDistribution.hpp"
+#include "RandomNumberDistribution_Parameters.hpp"
+
 // this defines stuff necessary PREVIOUS of PrototypeFactory.hpp inclusion
 #include "RandomNumberDistributionFactory.def"
@@ -25 +28 @@
 #include <map>
 
-class RandomNumberDistribution;
-class RandomNumberDistribution_Parameters;
 class RandomNumberDistributionFactoryUnitTest;
 class CommandSetRandomNumbersDistributionAction;

src/RandomNumbers/RandomNumberDistribution_Parameters.cpp

@@ -180 +180 @@
       tokenizer::iterator tok_valueiter = tok_paramiter;
       tokenizer::iterator tok_checkiter = ++tok_valueiter;
-      ASSERT(tok_valueiter == params.end(),
-          "operator<< on RandomNumberDistribution_Parameters - missing value before ';'!");
+      ASSERT(tok_paramiter != paramtokens.end(),
+          "operator<< on RandomNumberDistribution_Parameters - missing value before '='!");
+      ASSERT(tok_valueiter != paramtokens.end(),
+          "operator<< on RandomNumberDistribution_Parameters - missing value after '='!");
       ++tok_checkiter;
-      ASSERT(tok_checkiter == params.end(),
+      ASSERT(tok_checkiter == paramtokens.end(),
           "operator<< on RandomNumberDistribution_Parameters - still tokens before ';'!");
       DoLog(0) && (Log() << Verbose(0) << "INFO: Token pair is " << *tok_paramiter << "," << *tok_valueiter << std::endl);

src/RandomNumbers/RandomNumberEngineFactory.hpp

@@ -16 +16 @@
 #include "CodePatterns/Singleton.hpp"
 
+#include "RandomNumberEngine.hpp"
+#include "RandomNumberEngine_Parameters.hpp"
+
 // this defines stuff necessary PREVIOUS of PrototypeFactory.hpp inclusion
 #include "RandomNumberEngineFactory.def"
@@ -25 +28 @@
 #include <map>
 
-class RandomNumberEngine;
-class RandomNumberEngine_Parameters;
 class RandomNumberEngineFactoryUnitTest;
 class CommandSetRandomNumbersEngineAction;

src/RandomNumbers/RandomNumberEngine_Parameters.cpp

@@ -103 +103 @@
       tokenizer::iterator tok_valueiter = tok_paramiter;
       tokenizer::iterator tok_checkiter = ++tok_valueiter;
-      ASSERT(tok_valueiter == params.end(),
-          "operator<< on RandomNumberEngine_Parameters - missing value before ';'!");
+      ASSERT(tok_paramiter != paramtokens.end(),
+          "operator<< on RandomNumberEngine_Parameters - missing value before '=' in token"
+          +*tok_iter+"!");
+      ASSERT(tok_valueiter != paramtokens.end(),
+          "operator<< on RandomNumberEngine_Parameters - missing value after '=' in token"
+          +*tok_iter+"!");
       ++tok_checkiter;
-      ASSERT(tok_checkiter == params.end(),
-          "operator<< on RandomNumberEngine_Parameters - still tokens before ';'!");
+      ASSERT(tok_checkiter == paramtokens.end(),
+          "operator<< on RandomNumberEngine_Parameters - still tokens before ';' in token"
+          +*tok_iter+": "+*tok_checkiter+"!");
       DoLog(0) && (Log() << Verbose(0) << "INFO: Token pair is " << *tok_paramiter << "," << *tok_valueiter << std::endl);
       std::stringstream value(*tok_valueiter);

src/RandomNumbers/RandomNumberGeneratorFactory.hpp

@@ -23 +23 @@
 #include <map>
 
-#include "unittests/RandomNumberGeneratorFactoryUnitTest.hpp"
-
 class RandomNumberGenerator;
+class RandomNumberGeneratorFactoryTest;
 
 /** This is the abstract factory class for random number generators.

src/RandomNumbers/unittests/RandomNumberEngineFactoryUnitTest.cpp

@@ -130 +130 @@
 
   // change the prototype directly
-  CPPUNIT_ASSERT ( 0 != prototype.getseed() );
-  prototype.seed(0);
+  CPPUNIT_ASSERT ( 2 != prototype.getseed() );
+  prototype.seed(2);  // note for this prototype seed of 0 is not allowd by boost::random
 
   // check that prototype has indeed been manipulated
   rndA_2 = RandomNumberEngineFactory::getInstance().
       getProduct(RandomNumberEngineFactory::minstd_rand0);
-  CPPUNIT_ASSERT_EQUAL( (unsigned int)0, rndA_2->getseed() );
+  CPPUNIT_ASSERT_EQUAL( (unsigned int)2, rndA_2->getseed() );
   CPPUNIT_ASSERT( rndA_2->getseed() != rndA_1->getseed());