- Timestamp:
- May 18, 2010, 3:18:24 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:
- 4eb4fe, e58856b
- Parents:
- 2a5eb7
- Location:
- src
- Files:
-
- 2 added
- 4 edited
- 38 moved
Legend:
- Unmodified
- Added
- Removed
-
TabularUnified src/Makefile.am ¶
r2a5eb7 r5079a0 1 1 # PLEASE adhere to the alphabetical ordering in this Makefile! 2 2 # Also indentation by a single tab 3 4 SUBDIRS = Actions UIElements 3 5 4 6 # this includes source files that need to be present at multiple points … … 49 51 analysis_correlation.hpp 50 52 51 ACTIONSSOURCE = Actions/Action.cpp \ 52 ${ANALYSISACTIONSOURCE} \ 53 ${ATOMACTIONSOURCE} \ 54 ${CMDACTIONSOURCE} \ 55 ${FRAGMENTATIONACTIONSOURCE} \ 56 ${MOLECULEACTIONSOURCE} \ 57 ${PARSERACTIONSOURCE} \ 58 ${TESSELATIONACTIONSOURCE} \ 59 ${WORLDACTIONSOURCE} \ 53 ACTIONSSOURCE = \ 54 Actions/Action.cpp \ 60 55 Actions/ActionHistory.cpp \ 61 56 Actions/ActionRegistry.cpp \ … … 64 59 Actions/MakroAction.cpp \ 65 60 Actions/ManipulateAtomsProcess.cpp \ 66 Actions/MapOfActions.cpp \67 61 Actions/MethodAction.cpp \ 68 62 Actions/Process.cpp 69 63 70 ACTIONSHEADER = Actions/Action.hpp\64 ACTIONSHEADER = \ 71 65 ${ANALYSISACTIONHEADER} \ 72 66 ${ATOMACTIONHEADER} \ … … 77 71 ${TESSELATIONACTIONHEADER} \ 78 72 ${WORLDACTIONHEADER} \ 73 Actions/Action.hpp \ 79 74 Actions/ActionHistory.hpp \ 80 75 Actions/ActionRegistry.hpp \ … … 89 84 Actions/Process.hpp 90 85 91 ANALYSISACTIONSOURCE = \92 Actions/AnalysisAction/MolecularVolumeAction.cpp \93 Actions/AnalysisAction/PairCorrelationAction.cpp \94 Actions/AnalysisAction/PairCorrelationToPointAction.cpp \95 Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp \96 Actions/AnalysisAction/PrincipalAxisSystemAction.cpp97 ANALYSISACTIONHEADER = \98 Actions/AnalysisAction/MolecularVolumeAction.hpp \99 Actions/AnalysisAction/PairCorrelationAction.hpp \100 Actions/AnalysisAction/PairCorrelationToPointAction.hpp \101 Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp \102 Actions/AnalysisAction/PrincipalAxisSystemAction.hpp103 104 ATOMACTIONSOURCE = \105 Actions/AtomAction/AddAction.cpp \106 Actions/AtomAction/ChangeElementAction.cpp \107 Actions/AtomAction/RemoveAction.cpp108 ATOMACTIONHEADER = \109 Actions/AtomAction/AddAction.hpp \110 Actions/AtomAction/ChangeElementAction.hpp \111 Actions/AtomAction/RemoveAction.cpp112 113 CMDACTIONSOURCE = \114 Actions/CmdAction/BondLengthTableAction.cpp \115 Actions/CmdAction/ElementDbAction.cpp \116 Actions/CmdAction/FastParsingAction.cpp \117 Actions/CmdAction/HelpAction.cpp \118 Actions/CmdAction/VerboseAction.cpp \119 Actions/CmdAction/VersionAction.cpp120 CMDACTIONHEADER = \121 Actions/CmdAction/BondLengthTableAction.hpp \122 Actions/CmdAction/ElementDbAction.hpp \123 Actions/CmdAction/FastParsingAction.hpp \124 Actions/CmdAction/HelpAction.hpp \125 Actions/CmdAction/VerboseAction.hpp \126 Actions/CmdAction/VersionAction.hpp127 128 FRAGMENTATIONACTIONSOURCE = \129 Actions/FragmentationAction/DepthFirstSearchAction.cpp \130 Actions/FragmentationAction/FragmentationAction.cpp \131 Actions/FragmentationAction/SubgraphDissectionAction.cpp132 FRAGMENTATIONACTIONHEADER = \133 Actions/FragmentationAction/DepthFirstSearchAction.hpp \134 Actions/FragmentationAction/FragmentationAction.hpp \135 Actions/FragmentationAction/SubgraphDissectionAction.hpp136 137 MOLECULEACTIONSOURCE = \138 Actions/MoleculeAction/BondFileAction.cpp \139 Actions/MoleculeAction/ChangeNameAction.cpp \140 Actions/MoleculeAction/FillWithMoleculeAction.cpp \141 Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp \142 Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp \143 Actions/MoleculeAction/SaveAdjacencyAction.cpp \144 Actions/MoleculeAction/SaveBondsAction.cpp \145 Actions/MoleculeAction/SaveTemperatureAction.cpp \146 Actions/MoleculeAction/SuspendInWaterAction.cpp \147 Actions/MoleculeAction/TranslateAction.cpp \148 Actions/MoleculeAction/VerletIntegrationAction.cpp149 MOLECULEACTIONHEADER = \150 Actions/MoleculeAction/BondFileAction.hpp \151 Actions/MoleculeAction/ChangeNameAction.hpp \152 Actions/MoleculeAction/FillWithMoleculeAction.hpp \153 Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp \154 Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp \155 Actions/MoleculeAction/SaveAdjacencyAction.hpp \156 Actions/MoleculeAction/SaveBondsAction.hpp \157 Actions/MoleculeAction/SaveTemperatureAction.hpp \158 Actions/MoleculeAction/SuspendInWaterAction.hpp \159 Actions/MoleculeAction/TranslateAction.hpp \160 Actions/MoleculeAction/VerletIntegrationAction.hpp161 162 PARSERACTIONSOURCE = \163 Actions/ParserAction/LoadXyzAction.cpp \164 Actions/ParserAction/SaveXyzAction.cpp165 PARSERACTIONHEADER = \166 Actions/ParserAction/LoadXyzAction.hpp \167 Actions/ParserAction/SaveXyzAction.hpp168 169 TESSELATIONACTIONSOURCE = \170 Actions/TesselationAction/ConvexEnvelopeAction.cpp \171 Actions/TesselationAction/NonConvexEnvelopeAction.cpp172 TESSELATIONACTIONHEADER = \173 Actions/TesselationAction/ConvexEnvelopeAction.hpp \174 Actions/TesselationAction/NonConvexEnvelopeAction.hpp175 176 WORLDACTIONSOURCE = \177 Actions/WorldAction/AddEmptyBoundaryAction.cpp \178 Actions/WorldAction/BoundInBoxAction.cpp \179 Actions/WorldAction/CenterInBoxAction.cpp \180 Actions/WorldAction/CenterOnEdgeAction.cpp \181 Actions/WorldAction/ChangeBoxAction.cpp \182 Actions/WorldAction/RemoveSphereOfAtomsAction.cpp \183 Actions/WorldAction/RepeatBoxAction.cpp \184 Actions/WorldAction/ScaleBoxAction.cpp \185 Actions/WorldAction/SetDefaultNameAction.cpp \186 Actions/WorldAction/SetGaussianBasisAction.cpp187 WORLDACTIONHEADER = \188 Actions/WorldAction/AddEmptyBoundaryAction.hpp \189 Actions/WorldAction/BoundInBoxAction.hpp \190 Actions/WorldAction/CenterInBoxAction.hpp \191 Actions/WorldAction/CenterOnEdgeAction.hpp \192 Actions/WorldAction/ChangeBoxAction.hpp \193 Actions/WorldAction/RemoveSphereOfAtomsAction.hpp \194 Actions/WorldAction/RepeatBoxAction.hpp \195 Actions/WorldAction/ScaleBoxAction.hpp \196 Actions/WorldAction/SetDefaultNameAction.hpp \197 Actions/WorldAction/SetGaussianBasisAction.hpp198 199 200 86 201 87 PARSERSOURCE = \ … … 216 102 Patterns/Observer.hpp \ 217 103 Patterns/Singleton.hpp 218 219 # Below is all for the User Interface220 221 VIEWSOURCE = \222 Views/View.cpp \223 Views/StringView.cpp \224 Views/MethodStringView.cpp \225 Views/StreamStringView.cpp226 VIEWHEADER = \227 Views/View.hpp \228 Views/StringView.hpp \229 Views/MethodStringView.hpp \230 Views/StreamStringView.hpp231 232 MENUSOURCE = \233 Menu/Menu.cpp \234 Menu/TextMenu.cpp \235 Menu/MenuItem.cpp \236 Menu/SubMenuItem.cpp \237 Menu/ActionMenuItem.cpp \238 Menu/SeperatorItem.cpp \239 Menu/DisplayMenuItem.cpp240 241 MENUHEADER = \242 Menu/Menu.hpp \243 Menu/TextMenu.hpp \244 Menu/MenuItem.hpp \245 Menu/SubMenuItem.hpp \246 Menu/ActionMenuItem.hpp \247 Menu/SeperatorItem.hpp \248 Menu/DisplayMenuItem.hpp249 250 UISOURCE = \251 ${ACTIONSSOURCE} \252 ${COMMANDLINEUISOURCE} \253 ${MENUSOURCE} \254 ${TEXTUISOURCE} \255 ${VIEWSOURCE} \256 UIElements/Dialog.cpp \257 UIElements/MainWindow.cpp \258 UIElements/UIFactory.cpp259 260 UIHEADER = \261 ${ACTIONSHEADER} \262 ${COMMANDLINEUIHEADER} \263 ${MENUHEADER} \264 ${TEXTUIHEADER} \265 ${VIEWHEADER} \266 UIElements/Dialog.hpp \267 UIElements/MainWindow.hpp \268 UIElements/UIFactory.hpp269 270 TEXTUISOURCE = \271 UIElements/TextDialog.cpp \272 UIElements/TextStatusIndicator.cpp \273 UIElements/TextUIFactory.cpp \274 UIElements/TextWindow.cpp275 TEXTUIHEADER = \276 UIElements/TextDialog.hpp \277 UIElements/TextStatusIndicator.hpp \278 UIElements/TextUIFactory.hpp \279 UIElements/TextWindow.hpp280 281 COMMANDLINEUISOURCE = \282 UIElements/CommandLineDialog.cpp \283 UIElements/CommandLineStatusIndicator.cpp \284 UIElements/CommandLineUIFactory.cpp \285 UIElements/CommandLineWindow.cpp286 COMMANDLINEUIHEADER = \287 UIElements/CommandLineDialog.hpp \288 UIElements/CommandLineStatusIndicator.hpp \289 UIElements/CommandLineUIFactory.hpp \290 UIElements/CommandLineWindow.hpp291 104 292 105 # all these files are only used for legacy reasons while the transition is in progress … … 321 134 SOURCE = \ 322 135 ${ANALYSISSOURCE} \ 136 ${ACTIONSSOURCE} \ 323 137 ${ATOMSOURCE} \ 324 138 ${PATTERNSOURCE} \ 325 139 ${PARSERSOURCE} \ 326 ${UISOURCE} \327 140 ${DESCRIPTORSOURCE} \ 328 141 ${HELPERSOURCE} \ … … 335 148 config.cpp \ 336 149 element.cpp \ 150 elements_db.cpp \ 337 151 ellipsoid.cpp \ 338 152 errorlogger.cpp \ … … 366 180 HEADER = \ 367 181 ${ANALYSISHEADER} \ 182 ${ACTIONSHEADER} \ 368 183 ${ATOMHEADER} \ 369 184 ${PARSERHEADER} \ 370 185 ${PATTERNHEADER} \ 371 ${UIHEADER} \372 186 ${DESCRIPTORHEADER} \ 373 187 ${EXCEPTIONHEADER} \ … … 380 194 defs.hpp \ 381 195 element.hpp \ 196 elements_db.hpp \ 382 197 ellipsoid.hpp \ 383 198 errorlogger.hpp \ … … 407 222 408 223 BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB) 409 INCLUDES = -I$(top_srcdir)/src/unittests 224 INCLUDES = -I$(top_srcdir)/src/unittests -I$(top_srcdir)/src/Actions -I$(top_srcdir)/src/UIElements 410 225 411 226 noinst_LIBRARIES = libmolecuilder.a libgslwrapper.a … … 414 229 libmolecuilder_a_SOURCES = ${SOURCE} ${HEADER} 415 230 libgslwrapper_a_SOURCES = ${LINALGSOURCE} ${LINALGHEADER} 416 molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db417 231 molecuilder_LDFLAGS = $(BOOST_LDFLAGS) 418 232 molecuilder_SOURCES = builder.cpp 419 molecuilder_LDADD = libmolecuilder.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB}233 molecuilder_LDADD = UIElements/libMolecuilderUI.a Actions/libMolecuilderActions.a libmolecuilder.a libgslwrapper.a $(BOOST_LIB) ${BOOST_THREAD_LIB} ${BOOST_PROGRAM_OPTIONS_LIB} 420 234 joiner_SOURCES = joiner.cpp datacreator.cpp parser.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp 421 235 joiner_LDADD = libmolecuilder.a $(BOOST_LIB) ${BOOST_THREAD_LIB} -
TabularUnified src/UIElements/CommandLineUI/CommandLineDialog.cpp ¶
r2a5eb7 r5079a0 14 14 #include <Descriptors/MoleculeDescriptor.hpp> 15 15 #include <Descriptors/MoleculeIdDescriptor.hpp> 16 #include " UIElements/CommandLineDialog.hpp"16 #include "CommandLineUI/CommandLineDialog.hpp" 17 17 18 18 #include "element.hpp" -
TabularUnified src/UIElements/CommandLineUI/CommandLineDialog.hpp ¶
r2a5eb7 r5079a0 16 16 class Vector; 17 17 18 #include " UIElements/Dialog.hpp"18 #include "Dialog.hpp" 19 19 20 20 /** CommandLineUIFactory implementation of the Dialog. -
TabularUnified src/UIElements/CommandLineUI/CommandLineStatusIndicator.cpp ¶
r2a5eb7 r5079a0 7 7 8 8 9 #include "CommandLine StatusIndicator.hpp"9 #include "CommandLineUI/CommandLineStatusIndicator.hpp" 10 10 11 11 #include <iostream> -
TabularUnified src/UIElements/CommandLineUI/CommandLineUIFactory.cpp ¶
r2a5eb7 r5079a0 7 7 8 8 9 #include " UIElements/CommandLineUIFactory.hpp"10 #include " UIElements/CommandLineWindow.hpp"11 #include " UIElements/CommandLineDialog.hpp"9 #include "CommandLineUI/CommandLineUIFactory.hpp" 10 #include "CommandLineUI/CommandLineWindow.hpp" 11 #include "CommandLineUI/CommandLineDialog.hpp" 12 12 13 13 -
TabularUnified src/UIElements/CommandLineUI/CommandLineUIFactory.hpp ¶
r2a5eb7 r5079a0 9 9 #define COMMANDLINEUIFACTORY_HPP_ 10 10 11 #include "UI Elements/UIFactory.hpp"11 #include "UIFactory.hpp" 12 12 13 13 class CommandLineUIFactory : public UIFactory -
TabularUnified src/UIElements/CommandLineUI/CommandLineWindow.cpp ¶
r2a5eb7 r5079a0 8 8 #include <boost/bind.hpp> 9 9 10 #include " UIElements/CommandLineWindow.hpp"11 #include " UIElements/CommandLineStatusIndicator.hpp"10 #include "CommandLineUI/CommandLineWindow.hpp" 11 #include "CommandLineUI/CommandLineStatusIndicator.hpp" 12 12 13 13 #include "Actions/ActionRegistry.hpp" -
TabularUnified src/UIElements/CommandLineUI/CommandLineWindow.hpp ¶
r2a5eb7 r5079a0 9 9 #define COMMANDLINEWINDOW_HPP_ 10 10 11 #include " UIElements/MainWindow.hpp"11 #include "MainWindow.hpp" 12 12 13 13 class CommandLineStatusIndicator; -
TabularUnified src/UIElements/Dialog.cpp ¶
r2a5eb7 r5079a0 8 8 #include <cassert> 9 9 10 #include " UIElements/Dialog.hpp"10 #include "Dialog.hpp" 11 11 12 12 #include "atom.hpp" -
TabularUnified src/UIElements/MainWindow.cpp ¶
r2a5eb7 r5079a0 6 6 */ 7 7 8 #include " UIElements/MainWindow.hpp"8 #include "MainWindow.hpp" 9 9 10 10 MainWindow::MainWindow() -
TabularUnified src/UIElements/TextUI/TextDialog.cpp ¶
r2a5eb7 r5079a0 12 12 #include <Descriptors/MoleculeDescriptor.hpp> 13 13 #include <Descriptors/MoleculeIdDescriptor.hpp> 14 #include " UIElements/TextDialog.hpp"14 #include "TextUI/TextDialog.hpp" 15 15 16 16 #include "World.hpp" -
TabularUnified src/UIElements/TextUI/TextDialog.hpp ¶
r2a5eb7 r5079a0 11 11 #include <string> 12 12 13 #include " UIElements/Dialog.hpp"13 #include "Dialog.hpp" 14 14 15 15 class atom; -
TabularUnified src/UIElements/TextUI/TextStatusIndicator.cpp ¶
r2a5eb7 r5079a0 6 6 */ 7 7 8 #include "Text StatusIndicator.hpp"8 #include "TextUI/TextStatusIndicator.hpp" 9 9 10 10 #include <iostream> -
TabularUnified src/UIElements/TextUI/TextUIFactory.cpp ¶
r2a5eb7 r5079a0 6 6 */ 7 7 8 #include " UIElements/TextUIFactory.hpp"9 #include " UIElements/TextWindow.hpp"10 #include " UIElements/TextDialog.hpp"8 #include "TextUI/TextUIFactory.hpp" 9 #include "TextUI/TextWindow.hpp" 10 #include "TextUI/TextDialog.hpp" 11 11 12 12 -
TabularUnified src/UIElements/TextUI/TextUIFactory.hpp ¶
r2a5eb7 r5079a0 9 9 #define TEXTUIFACTORY_HPP_ 10 10 11 #include "UI Elements/UIFactory.hpp"11 #include "UIFactory.hpp" 12 12 13 13 class TextUIFactory : public UIFactory -
TabularUnified src/UIElements/TextUI/TextWindow.cpp ¶
r2a5eb7 r5079a0 6 6 */ 7 7 8 #include " UIElements/TextWindow.hpp"8 #include "TextUI/TextWindow.hpp" 9 9 10 10 #include <boost/bind.hpp> … … 24 24 #include "linkedcell.hpp" 25 25 #include "log.hpp" 26 #include "memoryusageobserver unittest.hpp"26 #include "memoryusageobserver.hpp" 27 27 #include "molecule.hpp" 28 28 #include "periodentafel.hpp" … … 37 37 #include "Menu/DisplayMenuItem.hpp" 38 38 #include "Menu/SubMenuItem.hpp" 39 #include " UIElements/TextStatusIndicator.hpp"39 #include "TextUI/TextStatusIndicator.hpp" 40 40 #include "Actions/MethodAction.hpp" 41 41 #include "Actions/MoleculeAction/ChangeNameAction.hpp" -
TabularUnified src/UIElements/TextUI/TextWindow.hpp ¶
r2a5eb7 r5079a0 9 9 #define TEXTWINDOW_HPP_ 10 10 11 #include " UIElements/MainWindow.hpp"11 #include "MainWindow.hpp" 12 12 13 13 class TextMenu; -
TabularUnified src/UIElements/UIFactory.cpp ¶
r2a5eb7 r5079a0 9 9 #include <cassert> 10 10 #include "Patterns/Singleton_impl.hpp" 11 #include "UI Elements/UIFactory.hpp"11 #include "UIFactory.hpp" 12 12 13 13 // all factories that can be used: 14 #include " UIElements/TextUIFactory.hpp"15 #include " UIElements/CommandLineUIFactory.hpp"14 #include "TextUI/TextUIFactory.hpp" 15 #include "CommandLineUI/CommandLineUIFactory.hpp" 16 16 17 17 UIFactory::UIFactory()
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