Changeset 29cbe9
- Timestamp:
- Oct 12, 2011, 2:10:56 PM (14 years ago)
- 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:
- c2e567
- Parents:
- c5038e
- git-author:
- Frederik Heber <heber@…> (09/09/11 21:30:06)
- git-committer:
- Frederik Heber <heber@…> (10/12/11 14:10:56)
- Location:
- LinearAlgebra
- Files:
-
- 11 edited
Legend:
- Unmodified
- Added
- Removed
-
LinearAlgebra/configure.ac
rc5038e r29cbe9 107 107 AM_PATH_CODEPATTERNS([1.0.13], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])]) 108 108 109 # boost 110 BOOST_REQUIRE([1.40]) 111 109 112 # boost headers 110 BOOST_REQUIRE([1.40])111 113 BOOST_BIND 112 114 BOOST_EXCEPTION 115 116 # boost libraries 117 BOOST_SERIALIZATION 113 118 114 119 # Checks for header files. -
LinearAlgebra/src/LinearAlgebra/Makefile.am
rc5038e r29cbe9 49 49 libLinearAlgebra_la_includedir = $(includedir)/MoleCuilder/LinearAlgebra/ 50 50 libLinearAlgebra_la_LIBADD = \ 51 $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \ 51 52 $(GSL_LIBS) 52 53 nobase_libLinearAlgebra_la_include_HEADERS = ${LINALGHEADER} -
LinearAlgebra/src/LinearAlgebra/MatrixContent.cpp
rc5038e r29cbe9 33 33 #include <set> 34 34 35 36 /** Constructor for class MatrixContent. 37 * 38 * This cstor is only present for serialization purposes. 39 * 40 */ 41 MatrixContent::MatrixContent() : 42 MatrixDimension(0,0), 43 content(NULL), 44 free_content_on_exit(true) 45 { 46 } 35 47 36 48 /** Constructor for class MatrixContent. -
LinearAlgebra/src/LinearAlgebra/MatrixContent.hpp
rc5038e r29cbe9 15 15 16 16 #include "CodePatterns/Assert.hpp" 17 18 #include <boost/serialization/array.hpp> 19 #include <boost/serialization/split_member.hpp> 17 20 18 21 /** MatrixContent is a wrapper for gsl_matrix. … … 165 168 void write(std::ostream &ost) const; 166 169 170 bool operator!=(const MatrixContent &other) const { 171 return !(*this == other); 172 } 173 174 private: 175 MatrixContent(); 176 friend class boost::serialization::access; 177 // serialization (due to gsl_vector separate versions needed) 178 template<class Archive> 179 void save(Archive & ar, const unsigned int version) const 180 { 181 ar & boost::serialization::base_object<MatrixDimension>(*this); 182 ar & content->size1; 183 ar & content->size2; 184 ar & content->tda; 185 ar & boost::serialization::make_array<double>(content->data, content->size1*content->tda); 186 } 187 template<class Archive> 188 void load(Archive & ar, const unsigned int version) 189 { 190 ar & boost::serialization::base_object<MatrixDimension>(*this); 191 content = gsl_matrix_calloc(getRows(), getColumns()); 192 ar & content->size1; 193 ASSERT(getRows() == content->size1, 194 "MatrixContent::load() - rows dimension mismatch: " 195 +toString(getRows())+" != "+toString(content->size1)+"."); 196 ar & content->size2; 197 ASSERT(getColumns() == content->size2, 198 "MatrixContent::load() - columns dimension mismatch: " 199 +toString(getColumns())+" != "+toString(content->size2)+"."); 200 size_t tda = 0; 201 ar & tda; 202 ASSERT(tda == content->tda, 203 "MatrixContent::load() - trailing dimension mismatch: " 204 +toString(tda)+" != "+toString(content->tda)+"."); 205 ar & boost::serialization::make_array<double>(content->data, content->size1*tda); 206 // this is always a copy, hence always free 207 free_content_on_exit = true; 208 } 209 BOOST_SERIALIZATION_SPLIT_MEMBER() 210 167 211 protected: 168 212 double *Pointer(size_t m, size_t n); … … 174 218 bool free_content_on_exit; 175 219 }; 220 //BOOST_CLASS_EXPORT_GUID(MatrixContent, "MatrixContent") 176 221 177 222 std::ostream & operator<<(std::ostream &ost, const MatrixContent &mat); -
LinearAlgebra/src/LinearAlgebra/VectorContent.cpp
rc5038e r29cbe9 31 31 #include "Vector.hpp" 32 32 #include "VectorContent.hpp" 33 34 /** Constructor of class VectorContent. 35 * 36 * This cstor is only present for serialization purposes. 37 * 38 */ 39 VectorContent::VectorContent() : 40 VectorDimension(0), 41 content(NULL), 42 free_content_on_exit(true) 43 {} 33 44 34 45 /** Constructor of class VectorContent. -
LinearAlgebra/src/LinearAlgebra/VectorContent.hpp
rc5038e r29cbe9 15 15 16 16 #include "CodePatterns/Assert.hpp" 17 18 #include <boost/serialization/array.hpp> 19 #include <boost/serialization/split_member.hpp> 17 20 18 21 /** … … 145 148 const double operator*(const VectorContent& b) const; 146 149 150 bool operator!=(const VectorContent &other) const { 151 return !(*this == other); 152 } 153 154 private: 155 VectorContent(); 156 friend class boost::serialization::access; 157 // serialization (due to gsl_vector separate versions needed) 158 template<class Archive> 159 void save(Archive & ar, const unsigned int version) const 160 { 161 ar & boost::serialization::base_object<VectorDimension>(*this); 162 ar & content->size; 163 ar & content->stride; 164 ar & boost::serialization::make_array<double>(content->data, content->size); 165 } 166 template<class Archive> 167 void load(Archive & ar, const unsigned int version) 168 { 169 ar & boost::serialization::base_object<VectorDimension>(*this); 170 content = gsl_vector_calloc(getDimension()); 171 ar & content->size; 172 ASSERT(getDimension() == content->size, 173 "MatrixContent::load() - dimension mismatch: " 174 +toString(getDimension())+" != "+toString(content->size)+"."); 175 ar & content->stride; 176 ar & boost::serialization::make_array<double>(content->data, content->size); 177 // this is always a copy, hence always free 178 free_content_on_exit = true; 179 } 180 BOOST_SERIALIZATION_SPLIT_MEMBER() 181 182 public: 147 183 gsl_vector *content; 148 184 private: 149 185 bool free_content_on_exit; 150 186 }; 187 //BOOST_CLASS_EXPORT_GUID(VectorContent, "VectorContent") 188 151 189 152 190 std::ostream & operator << (std::ostream& ost, const VectorContent &m); -
LinearAlgebra/src/unittests/Makefile.am
rc5038e r29cbe9 5 5 6 6 AM_LDFLAGS = ${CodePatterns_LIBS} $(CPPUNIT_LIBS) -ldl 7 AM_CPPFLAGS = $(CPPUNIT_CFLAGS) $ {CodePatterns_CFLAGS}7 AM_CPPFLAGS = $(CPPUNIT_CFLAGS) $(BOOST_CPPFLAGS) ${CodePatterns_CFLAGS} 8 8 9 9 TESTS = \ … … 63 63 MatrixContentUnitTest.cpp \ 64 64 MatrixContentUnitTest.hpp 65 MatrixContentUnitTest_LDADD = ${GSLLIBS} 65 MatrixContentUnitTest_LDADD = ${GSLLIBS} \ 66 $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) 66 67 67 68 PlaneUnitTest_SOURCES = UnitTestMain.cpp \ … … 78 79 VectorContentUnitTest.cpp \ 79 80 VectorContentUnitTest.hpp 80 VectorContentUnitTest_LDADD = ${GSLLIBS} 81 VectorContentUnitTest_LDADD = ${GSLLIBS} \ 82 $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) 81 83 82 84 VectorUnitTest_SOURCES = UnitTestMain.cpp \ -
LinearAlgebra/src/unittests/MatrixContentUnitTest.cpp
rc5038e r29cbe9 26 26 #include <cmath> 27 27 #include <limits> 28 29 // include headers that implement a archive in simple text format 30 #include <boost/archive/text_oarchive.hpp> 31 #include <boost/archive/text_iarchive.hpp> 28 32 29 33 #include "MatrixContentUnitTest.hpp" … … 348 352 } 349 353 } 354 355 /** Unit test for serialization 356 * 357 */ 358 void MatrixContentTest::SerializationTest() 359 { 360 m->setZero(); 361 int count=0; 362 for (size_t x = 0; x < 4 ; ++x) 363 for (size_t y = 0; y < 3 ; ++y) 364 m->at(x,y) = count++; 365 // write element to stream 366 std::stringstream stream; 367 boost::archive::text_oarchive oa(stream); 368 oa << m; 369 370 //std::cout << "Contents of archive is " << stream.str() << std::endl; 371 372 // create and open an archive for input 373 boost::archive::text_iarchive ia(stream); 374 // read class state from archive 375 MatrixContent *newm; 376 377 ia >> newm; 378 379 CPPUNIT_ASSERT (*m == *newm); 380 } -
LinearAlgebra/src/unittests/MatrixContentUnitTest.hpp
rc5038e r29cbe9 31 31 CPPUNIT_TEST (ReadWriteTest ); 32 32 CPPUNIT_TEST (SVDTest ); 33 CPPUNIT_TEST (SerializationTest ); 33 34 CPPUNIT_TEST_SUITE_END(); 34 35 … … 44 45 void ReadWriteTest(); 45 46 void SVDTest(); 47 void SerializationTest(); 46 48 47 49 private: -
LinearAlgebra/src/unittests/VectorContentUnitTest.cpp
rc5038e r29cbe9 23 23 #include <cppunit/extensions/TestFactoryRegistry.h> 24 24 #include <cppunit/ui/text/TestRunner.h> 25 26 // include headers that implement a archive in simple text format 27 #include <boost/archive/text_oarchive.hpp> 28 #include <boost/archive/text_iarchive.hpp> 25 29 26 30 #include "VectorContentUnitTest.hpp" … … 197 201 CPPUNIT_ASSERT_EQUAL( v, w ); 198 202 } 203 204 /** UnitTest for serialization. 205 */ 206 void VectorContentTest::SerializationTest() 207 { 208 v->setZero(); 209 (*v)[0] = 0.; 210 (*v)[1] = 1.; 211 (*v)[2] = 2.; 212 // write element to stream 213 std::stringstream stream; 214 boost::archive::text_oarchive oa(stream); 215 oa << v; 216 217 //std::cout << "Contents of archive is " << stream.str() << std::endl; 218 219 // create and open an archive for input 220 boost::archive::text_iarchive ia(stream); 221 // read class state from archive 222 VectorContent *newv; 223 224 ia >> newv; 225 226 CPPUNIT_ASSERT (*v == *newv); 227 } -
LinearAlgebra/src/unittests/VectorContentUnitTest.hpp
rc5038e r29cbe9 31 31 CPPUNIT_TEST (OperatorIsTest ); 32 32 CPPUNIT_TEST (ReadWriteTest ); 33 CPPUNIT_TEST (SerializationTest ); 33 34 CPPUNIT_TEST_SUITE_END(); 34 35 … … 44 45 void OperatorAlgebraTest(); 45 46 void ReadWriteTest(); 47 void SerializationTest(); 46 48 47 49 private:
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