Changeset 3027f8
- Timestamp:
- Jan 14, 2010, 2:23:13 PM (15 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:
- ea94a8
- Parents:
- abc967
- git-author:
- Tillmann Crueger <crueger@…> (01/14/10 13:40:44)
- git-committer:
- Tillmann Crueger <crueger@…> (01/14/10 14:23:13)
- Files:
-
- 3 added
- 5 edited
Legend:
- Unmodified
- Added
- Removed
-
configure.ac
rabc967 r3027f8 34 34 #AX_BOOST_PROGRAM_OPTIONS 35 35 #AX_BOOST_SERIALIZATION 36 37 #QT4 libraries 38 gw_CHECK_QT4 36 39 37 40 # Checks for header files. -
src/Makefile.am
rabc967 r3027f8 17 17 UIHEADER = ${ACTIONSHEADER} ${VIEWHEADER} ${MENUHEADER} UIElements/UIFactory.hpp UIElements/TextUIFactory.hpp UIElements/MainWindow.hpp UIElements/TextWindow.hpp UIElements/Dialog.hpp UIElements/TextDialog.hpp 18 18 19 QTUISOURCE = UIElements/QT4/QTMainWindow.cpp 20 QTUIHEADER = UIElements/QT4/QTMainWindow.hpp 21 22 QTUIMOCS = QTMainWindow.moc.cpp 23 QTUI_DEFS = 24 25 19 26 SOURCE = ${ANALYSISSOURCE} ${ATOMSOURCE} ${UISOURCE} bond.cpp bondgraph.cpp boundary.cpp config.cpp element.cpp ellipsoid.cpp errorlogger.cpp graph.cpp helpers.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 vector.cpp verbose.cpp menu.cpp 20 27 HEADER = ${ANALYSISHEADER} ${ATOMHEADER} ${UIHEADER} bond.hpp bondgraph.hpp boundary.hpp config.hpp defs.hpp element.hpp ellipsoid.hpp errorlogger.hpp graph.hpp helpers.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 vector.hpp verbose.hpp menu.hpp … … 24 31 25 32 noinst_LIBRARIES = libmolecuilder.a 26 bin_PROGRAMS = molecuilder joiner analyzer33 bin_PROGRAMS = molecuilder molecuildergui joiner analyzer 27 34 molecuilderdir = ${bindir} 28 35 libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER} … … 31 38 molecuilder_SOURCES = builder.cpp 32 39 molecuilder_LDADD = libmolecuilder.a 40 #Stuff for building the GUI using QT 41 molecuildergui_SOURCES = builder.cpp ${QTUISOURCE} ${QTUIMOCS} ${QTUIHEADER} 42 molecuildergui_CXXFLAGS = ${QT_CXXFLAGS} -DUSE_GUI_QT 43 molecuildergui_LDFLAGS = ${QT_LDFLAGS} 44 molecuildergui_LDADD = libmolecuilder.a ${QT_LDADD} ${QT_LIB_GUI} 33 45 joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp 34 46 joiner_LDADD = libmolecuilder.a … … 36 48 analyzer_LDADD = libmolecuilder.a 37 49 50 51 #Rules needed for QT4 52 # UI-Files are scattered throughout several subdirectories 53 # Therfore `%'-rules do not seem to work 54 #Quick fix to get it done otherwise 55 ${QTUIMOCS}: 56 list='$(QTUIHEADER)'; for header in $$list; do \ 57 echo "Making mocfile for $$header"; \ 58 target=`basename $$header | sed "s/\(.*\)\..*/\1.moc.cpp/"`;\ 59 $(MOC) $(srcdir)/$$header -o $$target \ 60 || eval $$failcom; \ 61 done; 62 38 63 #EXTRA_DIST = ${molecuilder_DATA} 39 64 -
src/UIElements/UIFactory.hpp
rabc967 r3027f8 22 22 23 23 public: 24 enum InterfaceTypes {Text };24 enum InterfaceTypes {Text,QT4}; 25 25 virtual ~UIFactory(); 26 26 -
src/builder.cpp
rabc967 r3027f8 973 973 populaters.MakeEditMoleculesMenu = populateEditMoleculesMenu; 974 974 975 #ifdef USE_GUI_QT 976 UIFactory::makeUserInterface(UIFactory::QT4); 977 #else 975 978 UIFactory::makeUserInterface(UIFactory::Text); 979 #endif 976 980 MainWindow *mainWindow = UIFactory::get()->makeMainWindow(populaters,molecules, configuration, periode, ConfigFileName); 977 981 mainWindow->display(); -
src/menu.cpp
rabc967 r3027f8 930 930 molecule *srcmol = NULL, *destmol = NULL; 931 931 Dialog *dialog = UIFactory::get()->makeDialog(); 932 dialog->queryMolecule("Enter index of matrix molecule (the variable one): ", srcmol,molecules);933 dialog->queryMolecule("Enter index of molecule to merge into (the fixed one): ", destmol,molecules);932 dialog->queryMolecule("Enter index of matrix molecule (the variable one): ",&srcmol,molecules); 933 dialog->queryMolecule("Enter index of molecule to merge into (the fixed one): ",&destmol,molecules); 934 934 if(dialog->display()) { 935 935 molecules->EmbedMerge(destmol, srcmol);
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