source: src/Actions/Makefile.am@ 24e19e

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 24e19e was c4a323, checked in by Frederik Heber <heber@…>, 12 years ago

Added FitParticleChargesAction for fitting partial nuclei charges to electrostatic potential.

  • right now just fits to first found potential of specified homology.
  • checks HomologyGraph::value_t::containsGrids whether grids have actually been stored.
  • added regression test to FitParticleCharges.
  • Property mode set to 100644
File size: 28.2 KB
RevLine 
[5079a0]1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4ACTIONSSOURCE = \
[455573]5 Actions/Action.cpp \
6 Actions/ActionHistory.cpp \
7 Actions/ActionRegistry.cpp \
8 Actions/ActionSequence.cpp \
[3139b2]9 Actions/ActionTrait.cpp \
[455573]10 Actions/ErrorAction.cpp \
11 Actions/MakroAction.cpp \
12 Actions/ManipulateAtomsProcess.cpp \
13 Actions/MethodAction.cpp \
[48d3c0]14 Actions/OptionRegistry.cpp \
15 Actions/OptionTrait.cpp \
[455573]16 Actions/Process.cpp \
[57dd40]17 Actions/UndoRedoHelpers.cpp \
[a55e6f]18 Actions/Values.cpp
[455573]19
20ACTIONSHEADER = \
21 Actions/Action.hpp \
[e69c87]22 Actions/ActionExceptions.hpp \
[7159ed]23 Actions/Action_impl_header.hpp \
24 Actions/Action_impl_pre.hpp \
[48d3c0]25 Actions/Action_impl_undef.hpp \
[455573]26 Actions/ActionHistory.hpp \
27 Actions/ActionRegistry.hpp \
28 Actions/ActionSequence.hpp \
[3139b2]29 Actions/ActionTrait.hpp \
[24da48]30 Actions/ActionTraits.hpp \
[7159ed]31 Actions/AtomsCalculation.hpp \
32 Actions/AtomsCalculation_impl.hpp \
[455573]33 Actions/Calculation.hpp \
34 Actions/Calculation_impl.hpp \
35 Actions/ErrorAction.hpp \
[48d3c0]36 Actions/GlobalListOfActions.hpp \
[455573]37 Actions/MakroAction.hpp \
[9c1324]38 Actions/MakroAction_impl_header.hpp \
39 Actions/MakroAction_impl_pre.hpp \
[455573]40 Actions/ManipulateAtomsProcess.hpp \
41 Actions/MethodAction.hpp \
[48d3c0]42 Actions/OptionRegistry.hpp \
43 Actions/OptionTrait.hpp \
[455573]44 Actions/Process.hpp \
[c1ab1f]45 Actions/Reaction.hpp \
46 Actions/Reaction_impl.hpp \
47 Actions/Reaction_impl_header.hpp \
48 Actions/Reaction_impl_pre.hpp \
[57dd40]49 Actions/UndoRedoHelpers.hpp \
[a55e6f]50 Actions/Values.hpp
[455573]51
52ACTIONPROTOTYPESSOURCE = \
[5079a0]53 ${ANALYSISACTIONSOURCE} \
54 ${ATOMACTIONSOURCE} \
[f63e41]55 ${BONDACTIONSOURCE} \
[5079a0]56 ${CMDACTIONSOURCE} \
[a88452]57 ${FILLACTIONSOURCE} \
[5079a0]58 ${FRAGMENTATIONACTIONSOURCE} \
[d09093]59 ${GRAPHACTIONSOURCE} \
[5079a0]60 ${MOLECULEACTIONSOURCE} \
61 ${PARSERACTIONSOURCE} \
[3f9eba]62 ${RANDONNUMBERSSOURCE} \
[125002]63 ${SELECTIONATOMACTIONSOURCE} \
64 ${SELECTIONMOLECULEACTIONSOURCE} \
[70bce9]65 ${SELECTIONSHAPEACTIONSOURCE} \
[4dc309]66 ${SHAPEACTIONSOURCE} \
[5079a0]67 ${TESSELATIONACTIONSOURCE} \
[455573]68 $(UNDOACTIONSOURCE) \
69 ${WORLDACTIONSOURCE}
[5079a0]70
[455573]71ACTIONPROTOTYPESHEADER = \
[5079a0]72 ${ANALYSISACTIONHEADER} \
73 ${ATOMACTIONHEADER} \
[f63e41]74 ${BONDACTIONHEADER} \
[5079a0]75 ${CMDACTIONHEADER} \
[a88452]76 ${FILLACTIONHEADER} \
[5079a0]77 ${FRAGMENTATIONACTIONHEADER} \
[d09093]78 ${GRAPHACTIONHEADER} \
[5079a0]79 ${MOLECULEACTIONHEADER} \
80 ${PARSERACTIONHEADER} \
[3f9eba]81 ${RANDONNUMBERSHEADER} \
[125002]82 ${SELECTIONATOMACTIONHEADER} \
83 ${SELECTIONMOLECULEACTIONHEADER} \
[70bce9]84 ${SELECTIONSHAPEACTIONHEADER} \
[4dc309]85 ${SHAPEACTIONHEADER} \
[5079a0]86 ${TESSELATIONACTIONHEADER} \
[455573]87 $(UNDOACTIONHEADER) \
88 ${WORLDACTIONHEADER}
89
[dd8990]90ACTIONPROTOTYPESDEFS = \
91 ${ANALYSISACTIONDEFS} \
92 ${ATOMACTIONDEFS} \
[f63e41]93 ${BONDACTIONDEFS} \
[dd8990]94 ${CMDACTIONDEFS} \
[a88452]95 ${FILLACTIONDEFS} \
[dd8990]96 ${FRAGMENTATIONACTIONDEFS} \
97 ${GRAPHACTIONDEFS} \
98 ${MOLECULEACTIONDEFS} \
99 ${PARSERACTIONDEFS} \
100 ${RANDONNUMBERSDEFS} \
101 ${SELECTIONATOMACTIONDEFS} \
102 ${SELECTIONMOLECULEACTIONDEFS} \
[70bce9]103 ${SELECTIONSHAPEACTIONDEFS} \
[4dc309]104 ${SHAPEACTIONDEFS} \
[dd8990]105 ${TESSELATIONACTIONDEFS} \
106 $(UNDOACTIONDEFS) \
107 ${WORLDACTIONDEFS}
108
[5079a0]109ANALYSISACTIONSOURCE = \
[f89b45]110 Actions/AnalysisAction/CalculateBoundingBoxAction.cpp \
[55f299]111 Actions/AnalysisAction/CalculateCellVolumeAction.cpp \
112 Actions/AnalysisAction/CalculateMolarMassAction.cpp \
[455573]113 Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp \
[208237b]114 Actions/AnalysisAction/DipoleCorrelationAction.cpp \
[455573]115 Actions/AnalysisAction/MolecularVolumeAction.cpp \
116 Actions/AnalysisAction/PairCorrelationAction.cpp \
117 Actions/AnalysisAction/PointCorrelationAction.cpp \
118 Actions/AnalysisAction/PrincipalAxisSystemAction.cpp \
119 Actions/AnalysisAction/SurfaceCorrelationAction.cpp
[5079a0]120ANALYSISACTIONHEADER = \
[f89b45]121 Actions/AnalysisAction/CalculateBoundingBoxAction.hpp \
[55f299]122 Actions/AnalysisAction/CalculateCellVolumeAction.hpp \
123 Actions/AnalysisAction/CalculateMolarMassAction.hpp \
[455573]124 Actions/AnalysisAction/DipoleAngularCorrelationAction.hpp \
[208237b]125 Actions/AnalysisAction/DipoleCorrelationAction.hpp \
[455573]126 Actions/AnalysisAction/MolecularVolumeAction.hpp \
127 Actions/AnalysisAction/PairCorrelationAction.hpp \
128 Actions/AnalysisAction/PointCorrelationAction.hpp \
129 Actions/AnalysisAction/PrincipalAxisSystemAction.hpp \
130 Actions/AnalysisAction/SurfaceCorrelationAction.hpp
[dd8990]131ANALYSISACTIONDEFS = \
[f89b45]132 Actions/AnalysisAction/CalculateBoundingBoxAction.def \
[55f299]133 Actions/AnalysisAction/CalculateCellVolumeAction.def \
134 Actions/AnalysisAction/CalculateMolarMassAction.def \
[dd8990]135 Actions/AnalysisAction/DipoleAngularCorrelationAction.def \
[208237b]136 Actions/AnalysisAction/DipoleCorrelationAction.def \
[dd8990]137 Actions/AnalysisAction/MolecularVolumeAction.def \
138 Actions/AnalysisAction/PairCorrelationAction.def \
139 Actions/AnalysisAction/PointCorrelationAction.def \
140 Actions/AnalysisAction/PrincipalAxisSystemAction.def \
141 Actions/AnalysisAction/SurfaceCorrelationAction.def
[5079a0]142
143ATOMACTIONSOURCE = \
[455573]144 Actions/AtomAction/AddAction.cpp \
145 Actions/AtomAction/ChangeElementAction.cpp \
146 Actions/AtomAction/RemoveAction.cpp \
147 Actions/AtomAction/RotateAroundOriginByAngleAction.cpp \
148 Actions/AtomAction/SaveSelectedAtomsAction.cpp \
149 Actions/AtomAction/TranslateAction.cpp
[5079a0]150ATOMACTIONHEADER = \
[455573]151 Actions/AtomAction/AddAction.hpp \
152 Actions/AtomAction/ChangeElementAction.hpp \
[3001c9]153 Actions/AtomAction/RemoveAction.hpp \
[455573]154 Actions/AtomAction/RotateAroundOriginByAngleAction.hpp \
155 Actions/AtomAction/SaveSelectedAtomsAction.hpp \
156 Actions/AtomAction/TranslateAction.hpp
[dd8990]157ATOMACTIONDEFS = \
158 Actions/AtomAction/AddAction.def \
159 Actions/AtomAction/ChangeElementAction.def \
160 Actions/AtomAction/RemoveAction.def \
161 Actions/AtomAction/RotateAroundOriginByAngleAction.def \
162 Actions/AtomAction/SaveSelectedAtomsAction.def \
163 Actions/AtomAction/TranslateAction.def
[5079a0]164
[f63e41]165BONDACTIONSOURCE = \
166 Actions/BondAction/BondAddAction.cpp \
167 Actions/BondAction/BondRemoveAction.cpp
168BONDACTIONHEADER = \
169 Actions/BondAction/BondAddAction.hpp \
170 Actions/BondAction/BondRemoveAction.hpp
171BONDACTIONDEFS = \
172 Actions/BondAction/BondAddAction.def \
173 Actions/BondAction/BondRemoveAction.def
174
[5079a0]175CMDACTIONSOURCE = \
[455573]176 Actions/CommandAction/BondLengthTableAction.cpp \
177 Actions/CommandAction/ElementDbAction.cpp \
178 Actions/CommandAction/FastParsingAction.cpp \
179 Actions/CommandAction/HelpAction.cpp \
[94d5ac6]180 Actions/CommandAction/HelpRedistributeAction.cpp \
[455573]181 Actions/CommandAction/VerboseAction.cpp \
182 Actions/CommandAction/VersionAction.cpp \
183 Actions/CommandAction/WarrantyAction.cpp
[5079a0]184CMDACTIONHEADER = \
[455573]185 Actions/CommandAction/BondLengthTableAction.hpp \
186 Actions/CommandAction/ElementDbAction.hpp \
187 Actions/CommandAction/FastParsingAction.hpp \
188 Actions/CommandAction/HelpAction.hpp \
[94d5ac6]189 Actions/CommandAction/HelpRedistributeAction.hpp \
[455573]190 Actions/CommandAction/VerboseAction.hpp \
191 Actions/CommandAction/VersionAction.hpp \
192 Actions/CommandAction/WarrantyAction.hpp
[dd8990]193CMDACTIONDEFS = \
194 Actions/CommandAction/BondLengthTableAction.def \
195 Actions/CommandAction/ElementDbAction.def \
196 Actions/CommandAction/FastParsingAction.def \
197 Actions/CommandAction/HelpAction.def \
[94d5ac6]198 Actions/CommandAction/HelpRedistributeAction.def \
[dd8990]199 Actions/CommandAction/VerboseAction.def \
200 Actions/CommandAction/VersionAction.def \
201 Actions/CommandAction/WarrantyAction.def
[5079a0]202
[a88452]203FILLACTIONSOURCE = \
[2db053]204 Actions/FillAction/FillRegularGridAction.cpp \
[09eaac]205 Actions/FillAction/FillSurfaceAction.cpp
[a88452]206FILLACTIONHEADER = \
[2db053]207 Actions/FillAction/FillRegularGridAction.hpp \
[09eaac]208 Actions/FillAction/FillSurfaceAction.hpp
[a88452]209FILLACTIONDEFS = \
[2db053]210 Actions/FillAction/FillRegularGridAction.def \
[09eaac]211 Actions/FillAction/FillSurfaceAction.def
[a88452]212
213
[5079a0]214FRAGMENTATIONACTIONSOURCE = \
[a3427f]215 Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp \
[c4a323]216 Actions/FragmentationAction/FitParticleChargesAction.cpp \
[d449a9]217 Actions/FragmentationAction/FragmentationAction.cpp \
218 Actions/FragmentationAction/ParseHomologiesAction.cpp \
219 Actions/FragmentationAction/SaveHomologiesAction.cpp \
[5589e7e]220 Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp
[5079a0]221FRAGMENTATIONACTIONHEADER = \
[a3427f]222 Actions/FragmentationAction/AnalyseFragmentationResultsAction.hpp \
[c4a323]223 Actions/FragmentationAction/FitParticleChargesAction.hpp \
[d449a9]224 Actions/FragmentationAction/FragmentationAction.hpp \
225 Actions/FragmentationAction/ParseHomologiesAction.hpp \
226 Actions/FragmentationAction/SaveHomologiesAction.hpp \
[5589e7e]227 Actions/FragmentationAction/StoreSaturatedFragmentAction.hpp
[dd8990]228FRAGMENTATIONACTIONDEFS = \
[a3427f]229 Actions/FragmentationAction/AnalyseFragmentationResultsAction.def \
[c4a323]230 Actions/FragmentationAction/FitParticleChargesAction.def \
[d449a9]231 Actions/FragmentationAction/FragmentationAction.def \
232 Actions/FragmentationAction/ParseHomologiesAction.def \
233 Actions/FragmentationAction/SaveHomologiesAction.def \
[5589e7e]234 Actions/FragmentationAction/StoreSaturatedFragmentAction.def
[004d5c]235
236if CONDJOBMARKET
237FRAGMENTATIONACTIONSOURCE += \
[bae7bc]238 Actions/FragmentationAction/FragmentationAutomationAction.cpp \
[39986b]239 Actions/FragmentationAction/MolecularDynamicsAction.cpp \
[bae7bc]240 Actions/FragmentationAction/ParseFragmentJobsAction.cpp
[004d5c]241FRAGMENTATIONACTIONHEADER += \
[bae7bc]242 Actions/FragmentationAction/FragmentationAutomationAction.hpp \
[39986b]243 Actions/FragmentationAction/MolecularDynamicsAction.hpp \
[bae7bc]244 Actions/FragmentationAction/ParseFragmentJobsAction.hpp
[004d5c]245FRAGMENTATIONACTIONDEFS += \
[bae7bc]246 Actions/FragmentationAction/FragmentationAutomationAction.def \
[39986b]247 Actions/FragmentationAction/MolecularDynamicsAction.def \
[bae7bc]248 Actions/FragmentationAction/ParseFragmentJobsAction.def
[004d5c]249endif
[d09093]250
[48d20d]251if CONDLEVMAR
252FRAGMENTATIONACTIONSOURCE += \
253 Actions/FragmentationAction/FitPotentialAction.cpp
254FRAGMENTATIONACTIONHEADER += \
255 Actions/FragmentationAction/FitPotentialAction.hpp
256FRAGMENTATIONACTIONDEFS += \
257 Actions/FragmentationAction/FitPotentialAction.def
258endif
259
260
[d09093]261GRAPHACTIONSOURCE = \
[455573]262 Actions/GraphAction/CreateAdjacencyAction.cpp \
263 Actions/GraphAction/DepthFirstSearchAction.cpp \
[560cbf]264 Actions/GraphAction/DestroyAdjacencyAction.cpp \
[22b786]265 Actions/GraphAction/SubgraphDissectionAction.cpp \
266 Actions/GraphAction/UpdateMoleculesAction.cpp
[d09093]267GRAPHACTIONHEADER = \
[455573]268 Actions/GraphAction/CreateAdjacencyAction.hpp \
269 Actions/GraphAction/DepthFirstSearchAction.hpp \
[560cbf]270 Actions/GraphAction/DestroyAdjacencyAction.hpp \
[22b786]271 Actions/GraphAction/SubgraphDissectionAction.hpp \
272 Actions/GraphAction/UpdateMoleculesAction.hpp
[dd8990]273GRAPHACTIONDEFS = \
274 Actions/GraphAction/CreateAdjacencyAction.def \
275 Actions/GraphAction/DepthFirstSearchAction.def \
[560cbf]276 Actions/GraphAction/DestroyAdjacencyAction.def \
[22b786]277 Actions/GraphAction/SubgraphDissectionAction.def \
278 Actions/GraphAction/UpdateMoleculesAction.def
[5079a0]279
280MOLECULEACTIONSOURCE = \
[455573]281 Actions/MoleculeAction/BondFileAction.cpp \
[8b886f]282 Actions/MoleculeAction/ChangeBondAngleAction.cpp \
[455573]283 Actions/MoleculeAction/ChangeNameAction.cpp \
284 Actions/MoleculeAction/CopyAction.cpp \
285 Actions/MoleculeAction/FillWithMoleculeAction.cpp \
286 Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp \
287 Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp \
288 Actions/MoleculeAction/LoadAction.cpp \
289 Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp \
290 Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp \
291 Actions/MoleculeAction/SaveSelectedMoleculesAction.cpp \
292 Actions/MoleculeAction/SaveAdjacencyAction.cpp \
293 Actions/MoleculeAction/SaveBondsAction.cpp \
294 Actions/MoleculeAction/SaveTemperatureAction.cpp \
[3a51bd]295 Actions/MoleculeAction/StretchBondAction.cpp \
[455573]296 Actions/MoleculeAction/SuspendInWaterAction.cpp \
297 Actions/MoleculeAction/VerletIntegrationAction.cpp
[5079a0]298MOLECULEACTIONHEADER = \
[455573]299 Actions/MoleculeAction/BondFileAction.hpp \
[8b886f]300 Actions/MoleculeAction/ChangeBondAngleAction.hpp \
[455573]301 Actions/MoleculeAction/ChangeNameAction.hpp \
302 Actions/MoleculeAction/CopyAction.hpp \
303 Actions/MoleculeAction/FillWithMoleculeAction.hpp \
304 Actions/MoleculeAction/FillVoidWithMoleculeAction.hpp \
305 Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp \
[3001c9]306 Actions/MoleculeAction/LoadAction.hpp \
[455573]307 Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp \
308 Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp \
309 Actions/MoleculeAction/SaveSelectedMoleculesAction.hpp \
310 Actions/MoleculeAction/SaveAdjacencyAction.hpp \
311 Actions/MoleculeAction/SaveBondsAction.hpp \
312 Actions/MoleculeAction/SaveTemperatureAction.hpp \
[3a51bd]313 Actions/MoleculeAction/StretchBondAction.hpp \
[455573]314 Actions/MoleculeAction/SuspendInWaterAction.hpp \
315 Actions/MoleculeAction/VerletIntegrationAction.hpp
[dd8990]316MOLECULEACTIONDEFS = \
317 Actions/MoleculeAction/BondFileAction.def \
[8b886f]318 Actions/MoleculeAction/ChangeBondAngleAction.def \
[dd8990]319 Actions/MoleculeAction/ChangeNameAction.def \
320 Actions/MoleculeAction/CopyAction.def \
321 Actions/MoleculeAction/FillWithMoleculeAction.def \
322 Actions/MoleculeAction/FillVoidWithMoleculeAction.def \
323 Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def \
324 Actions/MoleculeAction/LoadAction.def \
325 Actions/MoleculeAction/RotateAroundSelfByAngleAction.def \
326 Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def \
327 Actions/MoleculeAction/SaveSelectedMoleculesAction.def \
328 Actions/MoleculeAction/SaveAdjacencyAction.def \
329 Actions/MoleculeAction/SaveBondsAction.def \
330 Actions/MoleculeAction/SaveTemperatureAction.def \
[3a51bd]331 Actions/MoleculeAction/StretchBondAction.def \
[dd8990]332 Actions/MoleculeAction/SuspendInWaterAction.def \
333 Actions/MoleculeAction/VerletIntegrationAction.def
[3f9eba]334
[9cff8b]335PARSERACTIONSOURCE = \
[455573]336 Actions/ParserAction/ParseTremoloPotentialsAction.cpp \
[531f27]337 Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.cpp \
[41d023]338 Actions/ParserAction/SetParserParametersAction.cpp \
[81c980b]339 Actions/ParserAction/SetOutputFormatsAction.cpp \
340 Actions/ParserAction/SetTremoloAtomdataAction.cpp
[9cff8b]341PARSERACTIONHEADER = \
[455573]342 Actions/ParserAction/ParseTremoloPotentialsAction.hpp \
[531f27]343 Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.hpp \
[41d023]344 Actions/ParserAction/SetParserParametersAction.hpp \
[81c980b]345 Actions/ParserAction/SetOutputFormatsAction.hpp \
346 Actions/ParserAction/SetTremoloAtomdataAction.hpp
[dd8990]347PARSERACTIONDEFS = \
348 Actions/ParserAction/ParseTremoloPotentialsAction.def \
[531f27]349 Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.def \
[41d023]350 Actions/ParserAction/SetParserParametersAction.def \
[81c980b]351 Actions/ParserAction/SetOutputFormatsAction.def \
352 Actions/ParserAction/SetTremoloAtomdataAction.def
[9cff8b]353
[3f9eba]354RANDONNUMBERSSOURCE =\
[48d3c0]355 Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.cpp \
356 Actions/RandomNumbersAction/SetRandomNumbersEngineAction.cpp
[3f9eba]357RANDONNUMBERSHEADER =\
[48d3c0]358 Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.hpp \
359 Actions/RandomNumbersAction/SetRandomNumbersEngineAction.hpp
[dd8990]360RANDONNUMBERSDEFS =\
[48d3c0]361 Actions/RandomNumbersAction/SetRandomNumbersDistributionAction.def \
362 Actions/RandomNumbersAction/SetRandomNumbersEngineAction.def
[5079a0]363
[125002]364SELECTIONATOMACTIONSOURCE = \
[48d3c0]365 Actions/SelectionAction/Atoms/AllAtomsAction.cpp \
[eff536]366 Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.cpp \
[48d3c0]367 Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp \
368 Actions/SelectionAction/Atoms/AtomByElementAction.cpp \
369 Actions/SelectionAction/Atoms/AtomByIdAction.cpp \
[61c364]370 Actions/SelectionAction/Atoms/AtomByOrderAction.cpp \
[48d3c0]371 Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp \
[ebc499]372 Actions/SelectionAction/Atoms/InvertAtomsAction.cpp \
[48d3c0]373 Actions/SelectionAction/Atoms/NotAllAtomsAction.cpp \
[eff536]374 Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp \
[48d3c0]375 Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp \
376 Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp \
[61c364]377 Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp \
378 Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp
[125002]379SELECTIONATOMACTIONHEADER = \
[48d3c0]380 Actions/SelectionAction/Atoms/AllAtomsAction.hpp \
[eff536]381 Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.hpp \
[48d3c0]382 Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.hpp \
383 Actions/SelectionAction/Atoms/AtomByElementAction.hpp \
384 Actions/SelectionAction/Atoms/AtomByIdAction.hpp \
[61c364]385 Actions/SelectionAction/Atoms/AtomByOrderAction.hpp \
[48d3c0]386 Actions/SelectionAction/Atoms/ClearAllAtomsAction.hpp \
[ebc499]387 Actions/SelectionAction/Atoms/InvertAtomsAction.hpp \
[48d3c0]388 Actions/SelectionAction/Atoms/NotAllAtomsAction.hpp \
[eff536]389 Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.hpp \
[48d3c0]390 Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.hpp \
391 Actions/SelectionAction/Atoms/NotAtomByElementAction.hpp \
[61c364]392 Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp \
393 Actions/SelectionAction/Atoms/NotAtomByOrderAction.hpp
[dd8990]394SELECTIONATOMACTIONDEFS = \
[48d3c0]395 Actions/SelectionAction/Atoms/AllAtomsAction.def \
[eff536]396 Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.def \
[48d3c0]397 Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def \
398 Actions/SelectionAction/Atoms/AtomByElementAction.def \
399 Actions/SelectionAction/Atoms/AtomByIdAction.def \
[61c364]400 Actions/SelectionAction/Atoms/AtomByOrderAction.def \
[48d3c0]401 Actions/SelectionAction/Atoms/ClearAllAtomsAction.def \
[ebc499]402 Actions/SelectionAction/Atoms/InvertAtomsAction.def \
[48d3c0]403 Actions/SelectionAction/Atoms/NotAllAtomsAction.def \
[eff536]404 Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.def \
[48d3c0]405 Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def \
406 Actions/SelectionAction/Atoms/NotAtomByElementAction.def \
[61c364]407 Actions/SelectionAction/Atoms/NotAtomByIdAction.def \
408 Actions/SelectionAction/Atoms/NotAtomByOrderAction.def
[e2009b]409
[125002]410SELECTIONMOLECULEACTIONSOURCE = \
[48d3c0]411 Actions/SelectionAction/Molecules/AllMoleculesAction.cpp \
412 Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp \
[ebc499]413 Actions/SelectionAction/Molecules/InvertMoleculesAction.cpp \
[48d3c0]414 Actions/SelectionAction/Molecules/MoleculeByFormulaAction.cpp \
415 Actions/SelectionAction/Molecules/MoleculeByIdAction.cpp \
416 Actions/SelectionAction/Molecules/MoleculeByNameAction.cpp \
417 Actions/SelectionAction/Molecules/MoleculeByOrderAction.cpp \
418 Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp \
419 Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp \
420 Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp \
421 Actions/SelectionAction/Molecules/NotMoleculeByIdAction.cpp \
422 Actions/SelectionAction/Molecules/NotMoleculeByNameAction.cpp \
423 Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.cpp \
424 Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp
[125002]425SELECTIONMOLECULEACTIONHEADER = \
[48d3c0]426 Actions/SelectionAction/Molecules/AllMoleculesAction.hpp \
427 Actions/SelectionAction/Molecules/ClearAllMoleculesAction.hpp \
[ebc499]428 Actions/SelectionAction/Molecules/InvertMoleculesAction.hpp \
[48d3c0]429 Actions/SelectionAction/Molecules/MoleculeByFormulaAction.hpp \
430 Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp \
431 Actions/SelectionAction/Molecules/MoleculeByNameAction.hpp \
432 Actions/SelectionAction/Molecules/MoleculeByOrderAction.hpp \
433 Actions/SelectionAction/Molecules/MoleculeOfAtomAction.hpp \
434 Actions/SelectionAction/Molecules/NotAllMoleculesAction.hpp \
435 Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.hpp \
436 Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp \
437 Actions/SelectionAction/Molecules/NotMoleculeByNameAction.hpp \
438 Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.hpp \
439 Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.hpp
[dd8990]440SELECTIONMOLECULEACTIONDEFS = \
[48d3c0]441 Actions/SelectionAction/Molecules/AllMoleculesAction.def \
442 Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def \
[ebc499]443 Actions/SelectionAction/Molecules/InvertMoleculesAction.def \
[48d3c0]444 Actions/SelectionAction/Molecules/MoleculeByFormulaAction.def \
445 Actions/SelectionAction/Molecules/MoleculeByIdAction.def \
446 Actions/SelectionAction/Molecules/MoleculeByNameAction.def \
447 Actions/SelectionAction/Molecules/MoleculeByOrderAction.def \
448 Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def \
449 Actions/SelectionAction/Molecules/NotAllMoleculesAction.def \
450 Actions/SelectionAction/Molecules/NotMoleculeByFormulaAction.def \
451 Actions/SelectionAction/Molecules/NotMoleculeByIdAction.def \
452 Actions/SelectionAction/Molecules/NotMoleculeByNameAction.def \
453 Actions/SelectionAction/Molecules/NotMoleculeByOrderAction.def \
454 Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def
[70bce9]455
456SELECTIONSHAPEACTIONSOURCE = \
[663606]457 Actions/SelectionAction/Shapes/AllShapesAction.cpp \
[a27dcb]458 Actions/SelectionAction/Shapes/ShapeByNameAction.cpp \
[2c004d]459 Actions/SelectionAction/Shapes/NotAllShapesAction.cpp \
460 Actions/SelectionAction/Shapes/NotShapeByNameAction.cpp
[70bce9]461SELECTIONSHAPEACTIONHEADER = \
[663606]462 Actions/SelectionAction/Shapes/AllShapesAction.hpp \
[a27dcb]463 Actions/SelectionAction/Shapes/ShapeByNameAction.hpp \
[2c004d]464 Actions/SelectionAction/Shapes/NotAllShapesAction.hpp \
465 Actions/SelectionAction/Shapes/NotShapeByNameAction.hpp
[70bce9]466SELECTIONSHAPEACTIONDEFS = \
[663606]467 Actions/SelectionAction/Shapes/AllShapesAction.def \
[a27dcb]468 Actions/SelectionAction/Shapes/ShapeByNameAction.def \
[2c004d]469 Actions/SelectionAction/Shapes/NotAllShapesAction.def \
470 Actions/SelectionAction/Shapes/NotShapeByNameAction.def
[125002]471
[4dc309]472SHAPEACTIONSOURCE = \
[d475a6]473 Actions/ShapeAction/CombineShapesAction.cpp \
[f20da5]474 Actions/ShapeAction/CreateShapeAction.cpp \
[0b5057]475 Actions/ShapeAction/RemoveShapeAction.cpp \
[a2bbb1]476 Actions/ShapeAction/RotateShapeAction.cpp \
[29ea65]477 Actions/ShapeAction/StretchShapeAction.cpp \
[0b5057]478 Actions/ShapeAction/TranslateShapeAction.cpp
[4dc309]479SHAPEACTIONHEADER = \
[d475a6]480 Actions/ShapeAction/CombineShapesAction.hpp \
[f20da5]481 Actions/ShapeAction/CreateShapeAction.hpp \
[0b5057]482 Actions/ShapeAction/RemoveShapeAction.hpp \
[a2bbb1]483 Actions/ShapeAction/RotateShapeAction.hpp \
[29ea65]484 Actions/ShapeAction/StretchShapeAction.hpp \
[0b5057]485 Actions/ShapeAction/TranslateShapeAction.hpp
[4dc309]486SHAPEACTIONDEFS = \
[d475a6]487 Actions/ShapeAction/CombineShapesAction.def \
[f20da5]488 Actions/ShapeAction/CreateShapeAction.def \
[0b5057]489 Actions/ShapeAction/RemoveShapeAction.def \
[a2bbb1]490 Actions/ShapeAction/RotateShapeAction.def \
[29ea65]491 Actions/ShapeAction/StretchShapeAction.def \
[0b5057]492 Actions/ShapeAction/TranslateShapeAction.def
[4dc309]493
[5079a0]494TESSELATIONACTIONSOURCE = \
[455573]495 Actions/TesselationAction/ConvexEnvelopeAction.cpp \
[4dc309]496 Actions/TesselationAction/NonConvexEnvelopeAction.cpp
[5079a0]497TESSELATIONACTIONHEADER = \
[455573]498 Actions/TesselationAction/ConvexEnvelopeAction.hpp \
499 Actions/TesselationAction/NonConvexEnvelopeAction.hpp
[dd8990]500TESSELATIONACTIONDEFS = \
501 Actions/TesselationAction/ConvexEnvelopeAction.def \
502 Actions/TesselationAction/NonConvexEnvelopeAction.def
[455573]503
504UNDOACTIONSOURCE = \
505 Actions/RedoAction.cpp \
506 Actions/UndoAction.cpp
507UNDOACTIONHEADER = \
508 Actions/RedoAction.hpp \
509 Actions/UndoAction.hpp
[dd8990]510UNDOACTIONDEFS = \
511 Actions/RedoAction.def \
512 Actions/UndoAction.def
[455573]513
[5079a0]514
515WORLDACTIONSOURCE = \
[455573]516 Actions/WorldAction/AddEmptyBoundaryAction.cpp \
517 Actions/WorldAction/BoundInBoxAction.cpp \
518 Actions/WorldAction/CenterInBoxAction.cpp \
519 Actions/WorldAction/CenterOnEdgeAction.cpp \
520 Actions/WorldAction/ChangeBoxAction.cpp \
521 Actions/WorldAction/InputAction.cpp \
[5bcbc7]522 Actions/WorldAction/OutputAction.cpp \
[072f0e]523 Actions/WorldAction/OutputAsAction.cpp \
[455573]524 Actions/WorldAction/RepeatBoxAction.cpp \
525 Actions/WorldAction/ScaleBoxAction.cpp \
[c52e08]526 Actions/WorldAction/SetBoundaryConditionsAction.cpp \
[455573]527 Actions/WorldAction/SetDefaultNameAction.cpp \
528 Actions/WorldAction/SetWorldTimeAction.cpp
[5079a0]529WORLDACTIONHEADER = \
[455573]530 Actions/WorldAction/AddEmptyBoundaryAction.hpp \
531 Actions/WorldAction/BoundInBoxAction.hpp \
532 Actions/WorldAction/CenterInBoxAction.hpp \
533 Actions/WorldAction/CenterOnEdgeAction.hpp \
534 Actions/WorldAction/ChangeBoxAction.hpp \
535 Actions/WorldAction/InputAction.hpp \
[5bcbc7]536 Actions/WorldAction/OutputAction.hpp \
[072f0e]537 Actions/WorldAction/OutputAsAction.hpp \
[455573]538 Actions/WorldAction/RepeatBoxAction.hpp \
539 Actions/WorldAction/ScaleBoxAction.hpp \
[c52e08]540 Actions/WorldAction/SetBoundaryConditionsAction.hpp \
[455573]541 Actions/WorldAction/SetDefaultNameAction.hpp \
542 Actions/WorldAction/SetWorldTimeAction.hpp
[dd8990]543WORLDACTIONDEFS = \
544 Actions/WorldAction/AddEmptyBoundaryAction.def \
545 Actions/WorldAction/BoundInBoxAction.def \
546 Actions/WorldAction/CenterInBoxAction.def \
547 Actions/WorldAction/CenterOnEdgeAction.def \
548 Actions/WorldAction/ChangeBoxAction.def \
549 Actions/WorldAction/InputAction.def \
[5bcbc7]550 Actions/WorldAction/OutputAction.def \
[072f0e]551 Actions/WorldAction/OutputAsAction.def \
[dd8990]552 Actions/WorldAction/RepeatBoxAction.def \
553 Actions/WorldAction/ScaleBoxAction.def \
[c52e08]554 Actions/WorldAction/SetBoundaryConditionsAction.def \
[dd8990]555 Actions/WorldAction/SetDefaultNameAction.def \
556 Actions/WorldAction/SetWorldTimeAction.def
[5079a0]557
[c20b35]558#ACTIONPYTHONSOURCE_WITHDIR = $(ACTIONPROTOTYPESSOURCE:Action.cpp=Action.python.cpp)
559#ACTIONPYTHONSOURCE = $(notdir $(ACTIONPYTHONSOURCE_WITHDIR))
[861874]560
[455573]561noinst_LTLIBRARIES += \
562 libMolecuilderActions.la \
563 libMolecuilderActionPrototypes.la
[c20b35]564# libMolecuilderActionPython.la
[004d5c]565libMolecuilderActionPrototypes_la_CPPFLAGS = $(AM_CPPFLAGS)
566if CONDJOBMARKET
567libMolecuilderActionPrototypes_la_CPPFLAGS += $(JobMarket_CFLAGS)
568endif
[48d20d]569if CONDLEVMAR
570libMolecuilderActionPrototypes_la_CPPFLAGS += $(LEVMAR_CPPFLAGS)
571endif
[214240]572libMolecuilderActions_la_includedir = $(includedir)/MoleCuilder/
573libMolecuilderActionPrototypes_la_includedir = $(includedir)/MoleCuilder/
574#libMolecuilderActionPython_la_includedir = $(includedir)/MoleCuilder/
[455573]575
[c015b3]576BUILT_SOURCES += AllActionHeaders.hpp
577if CONDPYTHON
578BUILT_SOURCES += AllActionPython.hpp
579endif
[c20b35]580#$(ACTIONPYTHONSOURCE)
[83e90c]581
[455573]582# UIElements/libMolecuilderUI.la
[e5bf2b]583nobase_libMolecuilderActions_la_include_HEADERS = ${ACTIONSHEADER}
[5e7ebe]584nobase_libMolecuilderActionPrototypes_la_include_HEADERS = ${ACTIONPROTOTYPESHEADER} ${ACTIONPROTOTYPESDEFS}
[83e90c]585nodist_libMolecuilderActionPrototypes_la_include_HEADERS = AllActionHeaders.hpp
[c20b35]586#nobase_libMolecuilderActionPython_la_include_HEADERS = ${ACTIONPROTOTYPESHEADER} ${ACTIONPROTOTYPESDEFS}
587#nodist_libMolecuilderActionPython_la_include_HEADERS = AllActionHeaders.hpp
[861874]588
589## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
590## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
591## will therefore be treated as if it were literally part of the target name,
592## and the variable name derived from that.
593## The file extension .cc is recognized by Automake, and makes it produce
594## rules which invoke the C++ compiler to produce a libtool object file (.lo)
595## from each source file. Note that it is not necessary to list header files
596## which are already listed elsewhere in a _HEADERS variable assignment.
[acbe1b]597libMolecuilderActions_la_SOURCES = ${ACTIONSSOURCE}
[455573]598libMolecuilderActionPrototypes_la_SOURCES = ${ACTIONPROTOTYPESSOURCE}
[c20b35]599#libMolecuilderActionPython_la_SOURCES = ${ACTIONPYTHONSOURCE}
[861874]600
601## Instruct libtool to include ABI version information in the generated shared
602## library file (.so). The library ABI version is defined in configure.ac, so
603## that all version information is kept in one place.
[455573]604#libMolecuilderActions_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
[861874]605
606## The generated configuration header is installed in its own subdirectory of
607## $(libdir). The reason for this is that the configuration information put
608## into this header file describes the target platform the installed library
609## has been built for. Thus the file must not be installed into a location
610## intended for architecture-independent files, as defined by the Filesystem
611## Hierarchy Standard (FHS).
612## The nodist_ prefix instructs Automake to not generate rules for including
613## the listed files in the distribution on 'make dist'. Files that are listed
614## in _HEADERS variables are normally included in the distribution, but the
615## configuration header file is generated at configure time and should not be
616## shipped with the source tarball.
[acbe1b]617#libMolecuilderActions_libincludedir = $(libdir)/MoleCuilder/include
618#nodist_libMolecuilderActions_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
[861874]619
620## Install the generated pkg-config file (.pc) into the expected location for
621## architecture-dependent package configuration information. Occasionally,
622## pkg-config files are also used for architecture-independent data packages,
623## in which case the correct install location would be $(datadir)/pkgconfig.
[acbe1b]624#pkgconfigdir = $(libdir)/pkgconfig
625#pkgconfig_DATA = $(top_builddir)/MoleCuilder.pc
[83e90c]626
[c20b35]627#SUFFIXES = .pytho n.cpp
628#.python.cpp: $*.def
629# echo "#include \"$<\"" >$@; \
630# echo "#include \"Actions/Action_impl_python.hpp\"" >>$@; \
631# echo "#include \"Actions/Action_impl_undef.hpp\"" >>$@;
632
[c52e08]633AllActionHeaders.hpp: $(ACTIONPROTOTYPESHEADER) Actions/GlobalListOfActions.hpp
[83e90c]634 echo "#ifndef ALLACTIONHEADERS_HPP_" >$@; \
635 echo "#define ALLACTIONHEADERS_HPP_" >>$@; \
636 for file in $(ACTIONPROTOTYPESHEADER); do \
637 echo "#include \"$$file\"" >>$@; \
638 done; \
639 echo "#endif /* ALLACTIONHEADERS_HPP_ */" >>$@;
640
[c015b3]641MOSTLYCLEANFILES += \
642 AllActionHeaders.hpp
643
644if CONDPYTHON
[c52e08]645AllActionPython.hpp: $(ACTIONPROTOTYPESHEADER) Actions/GlobalListOfActions.hpp
[949953]646 echo "#ifndef ALLACTIONPYTHON_HPP_" >$@; \
647 echo "#define ALLACTIONPYTHON_HPP_" >>$@; \
648 for file in $(ACTIONPROTOTYPESHEADER); do \
649 echo "#include \"`echo $$file | sed -e 's/hpp/def/'`\"" >>$@; \
650 echo "#include \"Actions/Action_impl_python.hpp\"" >>$@; \
651 echo "#include \"Actions/Action_impl_undef.hpp\"" >>$@; \
652 done; \
653 echo "#endif /* ALLACTIONPYTHON_HPP_ */" >>$@;
654
[83e90c]655MOSTLYCLEANFILES += \
[949953]656 AllActionPython.hpp
[c015b3]657
658endif
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