source: src/Makefile.am@ b8c9d8

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
Last change on this file since b8c9d8 was b34306, checked in by Frederik Heber <heber@…>, 15 years ago

singleton class World introduced, contains only cell_size from class molecule.

  • class World is actually code from Till Crueger from his branch StructureRefactoring.
  • has been introduced here in minimalistic form to allow molecule::cell_size to be outsourced to World::cell_size
  • access to cell_size can be obtained from anyhwere by invoking World::get()->cell_size
  • INFO: cell_size was placed in class molecule for the fragmentation procedure where the cell_size had to be individually adapted to each fragment.
  • all appearances have been changed accordingly. Where appropriate we have employed a const pointer onto cell_size.

Signed-off-by: Frederik Heber <heber@…>

  • Property mode set to 100644
File size: 3.0 KB
RevLine 
[6b919f8]1ATOMSOURCE = atom.cpp atom_atominfo.cpp atom_bondedparticle.cpp atom_bondedparticleinfo.cpp atom_graphnode.cpp atom_graphnodeinfo.cpp atom_particleinfo.cpp atom_trajectoryparticle.cpp atom_trajectoryparticleinfo.cpp
2ATOMHEADER = atom.hpp atom_atominfo.hpp atom_bondedparticle.hpp atom_bondedparticleinfo.hpp atom_graphnode.hpp atom_graphnodeinfo.hpp atom_particleinfo.hpp atom_trajectoryparticle.hpp atom_trajectoryparticleinfo.hpp
3
[f60610]4LINALGSOURCE = gslmatrix.cpp gslvector.cpp linearsystemofequations.cpp
5LINALGHEADER = gslmatrix.hpp gslvector.hpp linearsystemofequations.hpp
[9fb860]6
[96c961]7ANALYSISSOURCE = analysis_bonds.cpp analysis_correlation.cpp
8ANALYSISHEADER = analysis_bonds.hpp analysis_correlation.hpp
9
[b34306]10SOURCE = ${ANALYSISSOURCE} ${ATOMSOURCE} bond.cpp bondgraph.cpp boundary.cpp config.cpp element.cpp ellipsoid.cpp errorlogger.cpp graph.cpp helpers.cpp info.cpp leastsquaremin.cpp linkedcell.cpp log.cpp logger.cpp memoryusageobserver.cpp moleculelist.cpp molecule.cpp molecule_dynamics.cpp molecule_fragmentation.cpp molecule_geometry.cpp molecule_graph.cpp molecule_pointcloud.cpp parser.cpp periodentafel.cpp tesselation.cpp tesselationhelpers.cpp triangleintersectionlist.cpp vector.cpp verbose.cpp World.cpp
11HEADER = ${ANALYSISHEADER} ${ATOMHEADER} bond.hpp bondgraph.hpp boundary.hpp config.hpp defs.hpp element.hpp ellipsoid.hpp errorlogger.hpp graph.hpp helpers.hpp info.hpp leastsquaremin.hpp linkedcell.hpp lists.hpp log.hpp logger.hpp memoryallocator.hpp memoryusageobserver.hpp molecule.hpp molecule_template.hpp parser.hpp periodentafel.hpp stackclass.hpp tesselation.hpp tesselationhelpers.hpp triangleintersectionlist.cpp vector.hpp verbose.hpp World.hpp
[ef9df36]12
[fa861b]13BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB)
[b9907c]14INCLUDES = -I$(top_srcdir)/src/unittests
[ef9df36]15
[9fb860]16noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a
[ef9df36]17bin_PROGRAMS = molecuilder joiner analyzer
[14de469]18molecuilderdir = ${bindir}
[b9907c]19libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER}
[9fb860]20libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER}
[6ac7ee]21molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
[fa861b]22molecuilder_LDFLAGS = $(BOOST_LIB)
[b9907c]23molecuilder_SOURCES = builder.cpp
[9fb860]24molecuilder_LDADD = libmolecuilder.a libgslwrapper.a
[b9907c]25joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
26joiner_LDADD = libmolecuilder.a
27analyzer_SOURCES = analyzer.cpp datacreator.cpp parser.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
28analyzer_LDADD = libmolecuilder.a
[14de469]29
[c111db]30#EXTRA_DIST = ${molecuilder_DATA}
[a8eb4a]31
32FORCE:
33$(srcdir)/.git-version: FORCE
[c135eb7]34 @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe HEAD) > .git-version-t 2>/dev/null \
[a8eb4a]35 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \
36 mv -f .git-version-t $(srcdir)/.git-version; \
37 else \
38 rm -f .git-version-t; \
39 fi
40
41EXTRA_DIST = $(srcdir)/.git-version
42
43$(srcdir)/version.c: $(srcdir)/.git-version
44 echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@
45
46molecuilder_SOURCES += $(srcdir)/version.c
Note: See TracBrowser for help on using the repository browser.