Changeset 942906

Timestamp:

Oct 18, 2011, 3:42:54 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:

2d5fee

Parents:

1b145f

git-author:

Frederik Heber <heber@…> (09/20/11 10:10:14)

git-committer:

Frederik Heber <heber@…> (10/18/11 15:42:54)

Message:

Added serialize() template functions to MatrixContainer and KeySetsContainer.

• also we now require CodePatterns 1.1.6 due to valarray inclusion before MemDebug.

Files:

• configure.ac (modified) (1 diff)
• src/Fragmentation/KeySetsContainer.hpp (modified) (2 diffs)
• src/Fragmentation/MatrixContainer.hpp (modified) (2 diffs)

configure.ac

@@ -137 +137 @@
 
 
-# CodePatterns library (needs Observer::Channels ) 
-AM_PATH_CODEPATTERNS([1.1.5], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
+# CodePatterns library (needs valarray in MemDebug ) 
+AM_PATH_CODEPATTERNS([1.1.6], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
 
 # Checks for header files.

src/Fragmentation/KeySetsContainer.hpp

@@ -14 +14 @@
 #endif
 
+#include "boost/serialization/vector.hpp"
+
+#include <vector>
 
 /** Contains the index set for each fragment.
@@ -41 +44 @@
     return !(*this == other);
   }
+
+private:
+  friend class boost::serialization::access;
+  // serialization
+  template<class Archive>
+  void serialize(Archive & ar, const unsigned int version)
+  {
+    ar & KeySets;
+    ar & AtomCounter;
+    ar & FragmentCounter;
+    ar & Order;
+    ar & FragmentsPerOrder;
+    ar & OrderSet;
+  }
 };
 

src/Fragmentation/MatrixContainer.hpp

@@ -15 +15 @@
 
 #include <vector>
+
+#include "boost/serialization/vector.hpp"
 
 /** Contains a sequence of matrices parsed from file.
@@ -57 +59 @@
     return !(*this == other);
   }
+
+private:
+  friend class boost::serialization::access;
+  // serialization
+  template<class Archive>
+  void serialize(Archive & ar, const unsigned int version)
+  {
+    ar & Matrix;
+    ar & Indices;
+    ar & Header;
+    ar & MatrixCounter;
+    ar & RowCounter;
+    ar & ColumnCounter;
+  }
 };