Changeset be90f1


Ignore:
Timestamp:
Oct 7, 2009, 3:04:23 PM (16 years ago)
Author:
Saskia Metzler <metzler@…>
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:
b9907c
Parents:
21b9c3
git-author:
Saskia Metzler <metzler@…> (10/07/09 15:01:14)
git-committer:
Saskia Metzler <metzler@…> (10/07/09 15:04:23)
Message:

temp commit

Files:
1 added
6 edited
8 moved

Legend:

Unmodified
Added
Removed
  • configure.ac

    r21b9c3 rbe90f1  
    7979AC_CONFIG_FILES([tests/molecuilder], [chmod +x tests/molecuilder])
    8080AC_CONFIG_FILES([doc/molecuilder.xml])
    81 AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile])
     81AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile src/unittests/Makefile])
    8282AC_OUTPUT
  • src/Makefile.am

    • Property mode changed from 100644 to 100755
    r21b9c3 rbe90f1  
     1SUBDIRS = unittests
     2
    13SOURCE = atom.cpp bond.cpp boundary.cpp config.cpp element.cpp ellipsoid.cpp helpers.cpp leastsquaremin.cpp linkedcell.cpp moleculelist.cpp molecules.cpp parser.cpp periodentafel.cpp tesselation.cpp tesselationhelpers.cpp vector.cpp verbose.cpp
    24HEADER = atom.hpp bond.hpp boundary.hpp config.hpp defs.hpp element.hpp ellipsoid.hpp helpers.hpp leastsquaremin.hpp linkedcell.hpp memoryallocator.hpp memoryusageobserver.cpp memoryusageobserver.hpp molecules.hpp parser.hpp periodentafel.hpp stackclass.hpp tesselation.hpp tesselationhelpers.hpp vector.hpp verbose.hpp
    3 
    4 noinst_PROGRAMS =  VectorUnitTest MemoryAllocatorUnitTest MemoryUsageObserverUnitTest
    55
    66bin_PROGRAMS = molecuilder joiner analyzer
     
    1111analyzer_SOURCES = analyzer.cpp datacreator.cpp element.cpp helpers.cpp memoryallocator.hpp memoryusageobserver.cpp memoryusageobserver.hpp periodentafel.cpp parser.cpp verbose.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
    1212
    13 TESTS = VectorUnitTest MemoryAllocatorUnitTest
    14 check_PROGRAMS = $(TESTS)
    15 VectorUnitTest_SOURCES = defs.hpp helpers.cpp helpers.hpp leastsquaremin.cpp leastsquaremin.hpp memoryallocator.hpp memoryusageobserver.cpp memoryusageobserver.hpp vectorunittest.cpp vectorunittest.hpp vector.cpp vector.hpp verbose.cpp verbose.hpp
    16 VectorUnitTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
    17 VectorUnitTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
    18 
    19 MemoryAllocatorUnitTest_SOURCES = defs.hpp helpers.cpp helpers.hpp memoryallocatorunittest.cpp memoryallocatorunittest.hpp memoryallocator.hpp memoryusageobserver.cpp memoryusageobserver.hpp verbose.cpp verbose.hpp
    20 MemoryAllocatorUnitTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
    21 MemoryAllocatorUnitTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
    22 
    23 MemoryUsageObserverUnitTest_SOURCES = defs.hpp helpers.cpp helpers.hpp memoryusageobserverunittest.cpp memoryusageobserverunittest.hpp memoryusageobserver.hpp memoryusageobserver.cpp verbose.cpp verbose.hpp
    24 MemoryUsageObserverUnitTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
    25 MemoryUsageObserverUnitTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
    26 
    2713EXTRA_DIST = ${molecuilder_DATA}
  • src/builder.cpp

    • Property mode changed from 100644 to 100755
  • src/helpers.cpp

    • Property mode changed from 100644 to 100755
  • src/helpers.hpp

    • Property mode changed from 100644 to 100755
  • src/memoryallocator.hpp

    • Property mode changed from 100644 to 100755
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