Changeset a3fc46 for src/Fragmentation/Summation

Timestamp:

Apr 15, 2013, 6:13:46 PM (12 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:

214240

Parents:

1b5a40

git-author:

Frederik Heber <heber@…> (03/09/13 13:41:55)

git-committer:

Frederik Heber <heber@…> (04/15/13 18:13:46)

Message:

FIX: Fixed printKeyName inclusions a bit.

• they are now inline functions.

Location:

src/Fragmentation/Summation

Files:

• Containers/MPQCData_printKeyNames.hpp (modified) (2 diffs)
• Containers/VMGData_printKeyNames.hpp (modified) (2 diffs)
• OrthogonalSummation_impl.hpp (modified) (1 diff)
• OrthogonalSummator.hpp (modified) (1 diff)
• Summation_impl.hpp (modified) (1 diff)
• Summator.hpp (modified) (1 diff)

src/Fragmentation/Summation/Containers/MPQCData_printKeyNames.hpp

@@ -13 +13 @@
 #include <config.h>
 #endif
+
+#include "Fragmentation/Summation/printKeyNames.hpp"
 
 //#include <iosfwd>
@@ -58 +60 @@
 #endif
 
-//!> this is the macro function which prints the specialized template function
+/** This is the macro function which prints the specialized template function.
+ *
+ * We need make it inline as it is fully specialized and hence multiple instances
+ * are not combined into one anymore.
+ */
 #define printName_specializer(z, n, NAMESPACE, TOKENSEQ, NAMESEQ ) \
   template<> inline std::string printName< NAMESPACE :: BOOST_PP_SEQ_ELEM( n, TOKENSEQ ) >() { \

src/Fragmentation/Summation/Containers/VMGData_printKeyNames.hpp

@@ -13 +13 @@
 #include <config.h>
 #endif
+
+#include "Fragmentation/Summation/printKeyNames.hpp"
 
 //#include <iosfwd>
@@ -49 +51 @@
 #endif
 
-//!> this is the macro function which prints the specialized template function
+/** This is the macro function which prints the specialized template function.
+ *
+ * We need make it inline as it is fully specialized and hence multiple instances
+ * are not combined into one anymore.
+ */
 #define printName_specializer(z, n, NAMESPACE, TOKENSEQ, NAMESEQ ) \
   template<> inline std::string printName< NAMESPACE :: BOOST_PP_SEQ_ELEM( n, TOKENSEQ ) >() { \

src/Fragmentation/Summation/OrthogonalSummation_impl.hpp

@@ -43 +43 @@
     subsetmap.reset(new SubsetMap(container));
   } else {
-    LOG(2, "DEBUG: Using given SubsetMap for " << printKeyNames::printName<T>() << ".");
+    LOG(2, "DEBUG: Using given SubsetMap.");
   }
   /// instantiate all SubSetValue's by requesting the IndexSet from the Subsetmap

src/Fragmentation/Summation/OrthogonalSummator.hpp

@@ -22 +22 @@
 #include "Fragmentation/Summation/OrthogonalSummation.hpp"
 #include "Fragmentation/Summation/SetValue.hpp"
-#include "Fragmentation/Summation/Containers/MPQCDataMap.hpp"
 
 /** OrthogonalSummator is a general class for making us of OrthogonalSummation.

src/Fragmentation/Summation/Summation_impl.hpp

@@ -42 +42 @@
     subsetmap.reset(new SubsetMap(container));
   } else {
-    LOG(2, "DEBUG: Using given SubsetMap for " << printKeyNames::printName<T>() << ".");
+    LOG(2, "DEBUG: Using given SubsetMap.");
   }
   /// instantiate all SubSetValue's by requesting the IndexSet from the Subsetmap

src/Fragmentation/Summation/Summator.hpp

@@ -22 +22 @@
 #include "Fragmentation/Summation/Summation.hpp"
 #include "Fragmentation/Summation/SetValue.hpp"
-#include "Fragmentation/Summation/Containers/MPQCDataMap.hpp"
 
 /** Summator is a general class for making us of Summation.