Changeset 18ed8c for src/Fragmentation/Summation/Containers

Timestamp:

Jul 13, 2014, 7:41:15 AM (10 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:

d6a7b9

Parents:

2e584e

git-author:

Frederik Heber <heber@…> (07/07/14 20:43:47)

git-committer:

Frederik Heber <heber@…> (07/13/14 07:41:15)

Message:

All HAVE_VMG also check for HAVE_JOBMARKET.

• right now VMG is not activated when we lack JobMarket anyway, but this is actually safer.
• FramentationLongRangeResults no longer compiled in when lacking VMG.

Location:

src/Fragmentation/Summation/Containers

Files:

• FragmentationResultContainer.cpp (modified) (4 diffs)
• FragmentationResultContainer.hpp (modified) (7 diffs)
• Makefile.am (modified) (3 diffs)

src/Fragmentation/Summation/Containers/FragmentationResultContainer.cpp

@@ -41 +41 @@
 #include "CodePatterns/Singleton_impl.hpp"
 
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
 void FragmentationResultContainer::addFullResults(
     const KeySetsContainer &_keysets,
@@ -51 +51 @@
   OBSERVE;
   ASSERT( ResultsType == BothRanges,
-      "FragmentationResultContainer::getLongRangeResults() - mixing full and short range is not in the cards.");
+      "FragmentationResultContainer::addFullResults() - mixing full and short range is not in the cards.");
   ASSERT( _keysets.KeySets.size() == _forcekeysets.KeySets.size(),
       "FragmentationResultContainer::addFullResults() - keysets ("
@@ -80 +80 @@
   OBSERVE;
   ASSERT( (ResultsType == ShortRangeOnly) || (keysets.KeySets.empty()) ,
-      "FragmentationResultContainer::getLongRangeResults() - mixing full and short range is not in the cards.");
+      "FragmentationResultContainer::addFullResults() - mixing full and short range is not in the cards.");
   ASSERT( _keysets.KeySets.size() == _forcekeysets.KeySets.size(),
       "FragmentationResultContainer::addFullResults() - keysets ("
@@ -104 +104 @@
 }
 
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
 const FragmentationResultContainer::longrangedata_t&
 FragmentationResultContainer::getLongRangeResults() const

src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp

@@ -36 +36 @@
 #include "Fragmentation/Summation/Containers/MPQCData.hpp"
 #include "Fragmentation/Summation/Containers/MPQCDataMap.hpp"
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
 #include "Fragmentation/Summation/Containers/VMGData.hpp"
 #endif
@@ -63 +63 @@
   //!> typedef for short range data container
   typedef std::map<JobId_t, MPQCData> shortrangedata_t;
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
   //!> typedef for long range data container
   typedef std::map<JobId_t, VMGData> longrangedata_t;
 #endif
 
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
   /** Adds a a set of both short and long range results.
    *
@@ -128 +128 @@
     shortrangedata.clear();
     summedshortrange.clear();
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
     longrangedata.clear();
 #endif
@@ -139 +139 @@
   const shortrangedata_t& getShortRangeResults() const  { return shortrangedata; }
   const FragmentationShortRangeResults::summedshortrange_t& getShortRangeSummedResults() const  { return summedshortrange; }
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
   const longrangedata_t& getLongRangeResults() const;
 #endif
@@ -162 +162 @@
   FragmentationShortRangeResults::summedshortrange_t summedshortrange;
 
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
   //!> container for all long-range results
   std::map<JobId_t, VMGData> longrangedata;
@@ -181 +181 @@
     if (version > 1)
       ar & summedshortrange;
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
     ar & longrangedata;
 #endif
@@ -196 +196 @@
     if (version > 1)
       ar & summedshortrange;
-#ifdef HAVE_VMG
+#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
     ar & longrangedata;
 #endif

src/Fragmentation/Summation/Containers/Makefile.am

@@ -5 +5 @@
         Fragmentation/Summation/Containers/createMatrixNrLookup.cpp \
         Fragmentation/Summation/Containers/FragmentationChargeDensity.cpp \
-        Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp \
         Fragmentation/Summation/Containers/FragmentationResultContainer.cpp \
         Fragmentation/Summation/Containers/FragmentationShortRangeResults.cpp \
         Fragmentation/Summation/Containers/MPQCData.cpp
-        
+
+if CONDJOBMARKET        
 if CONDVMG
 FRAGMENTATIONCONTAINERSOURCE += \
+        Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp \
         Fragmentation/Summation/Containers/VMGData.cpp
+endif
 endif
 
@@ -19 +21 @@
         Fragmentation/Summation/Containers/extractJobIds.hpp \
         Fragmentation/Summation/Containers/FragmentationChargeDensity.hpp \
-        Fragmentation/Summation/Containers/FragmentationLongRangeResults.hpp \
         Fragmentation/Summation/Containers/FragmentationResultContainer.hpp \
         Fragmentation/Summation/Containers/FragmentationShortRangeResults.hpp \
@@ -26 +27 @@
         Fragmentation/Summation/Containers/MPQCDataMap.hpp \
         Fragmentation/Summation/Containers/MPQCData_printKeyNames.hpp
-        
+
+if CONDJOBMARKET        
 if CONDVMG
 FRAGMENTATIONCONTAINERHEADER += \
+        Fragmentation/Summation/Containers/FragmentationLongRangeResults.hpp \
         Fragmentation/Summation/Containers/VMGData.hpp \
         Fragmentation/Summation/Containers/VMGDataFused.hpp \
         Fragmentation/Summation/Containers/VMGDataMap.hpp \
         Fragmentation/Summation/Containers/VMGData_printKeyNames.hpp
+endif
 endif