source: src/Actions/Makefile.am@ c38826

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 c38826 was e4afb4, checked in by Frederik Heber <heber@…>, 14 years ago

Huge refactoring: Introduction of Traits to Actions.

This change is really big but the introduction of the Trait concept (at least
in its current light form) is so fundamental that lots of pieces had to be
changed in order to get everything working.

The main point why it was necessary to add these traits in the first place was
to comfortably allow for adding extension of Actions information-wise, i.e.
with stuff that is only important for the QtUI, such as icons, or tooltips, ...
This extra information should not be stored with Action itself, as it has
nothing to do with the workings of the Action. And neither should it get
stored with some blown-out-of-proportions MapOfActions class ...

The gist of the change is as follows:

  • OptionTrait contains the token, description, shortform and type of an option, such as ("position", "position in space, none, typeid(Vector)).
  • ActionTrait is the derived form for actions where additionally MenuPosition and MenuName are stored (and probably more to come for the GUI), also we have a set of OptionTrait instances, one for each option of the Action.
  • Action then contains this ActionTrait, specialized for each Action.
  • the preprocessor macros have been enhanced to gather all this information from the .def files.
  • MapOfActions is gone. Completely. Most of its use was to store this extra information and the ValueStorage part now is just in class ValueStorage.
  • ValueStorage is no more an interface to MapOfActions but as the name says a (type-safe) ValueStorage.

Listing the (remaining) changes in alphabetical order of the class:

  • Action
    • member value ::name dropped, ::getName() uses ActionTraits::getName()
    • new define NODEFAULT which is used in paramdefaults in .def files
    • all derived actions classes such as Process, Calculations, MakroAction,... have been adapated to use the ActionTrait concept as well.
  • ActionHistory
    • extraced RedoAction and UndoAction, shifted implementation into their own object files and they use .def files as well (i.e. streamlined with method used for other actions)
  • MenuDescription
    • contain information on Menus such as name, ...
    • new unit test checks for consistency
  • molecule
    • const member functions: Copy(), Output() and OutputBonds()
  • OptionRegistry
    • new registry class for options only
    • we want the same type throughout the code for each token, e.g. "position"
    • the registry containts checks for consistency
  • OptionTrait
    • default values are specified in paramdefaults, none are given by NODEFAULT
    • introduced default for translate-atoms, point-correlation, pair-correlation
  • Registry pattern
    • new unit test, but only sceleton code so far
  • ...Query, also ...Pipe
    • atoms, molecule and elements are now all const
    • also ValueStorage's signatures all have const therein
  • ValueStorage
    • set/queryCurrentValue from MapOfActions
    • at times VectorValue has been in .def files where Vector was in the signature. This is cleared. Such stuff is only present for e.g. BoxVector being queried as a Vector. But this is a feature and intended.
  • World
    • most of the (un)selection functions now work on const atoms and molecules
    • in one case we need a const_cast to remove this, but this is intentional, as the vector of selected atoms stores non-const pointers and this is ok.

There is only one test which had to be changed slightly because a specific
option token as "position" must now have the same type everywhere, e.g. always
Vector.

  • TESTFIX: Simple_configuration/2: --position -> --domain-position (and associated to BoxVector)
  • Property mode set to 100644
File size: 10.2 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4INCLUDES = -I$(top_srcdir)/src
5
6AM_LDFLAGS = $(CPPUNIT_LIBS) -ldl
7AM_CXXFLAGS = $(CPPUNIT_CFLAGS)
8
9ACTIONSSOURCE = \
10 ${ANALYSISACTIONSOURCE} \
11 ${ATOMACTIONSOURCE} \
12 ${CMDACTIONSOURCE} \
13 ${FRAGMENTATIONACTIONSOURCE} \
14 ${MOLECULEACTIONSOURCE} \
15 ${PARSERACTIONSOURCE} \
16 ${SELECTIONACTIONSOURCE} \
17 ${TESSELATIONACTIONSOURCE} \
18 ${WORLDACTIONSOURCE} \
19 RedoAction.cpp \
20 UndoAction.cpp \
21 ValueStorage.cpp
22
23ACTIONSHEADER = \
24 ${ANALYSISACTIONHEADER} \
25 ${ATOMACTIONHEADER} \
26 ${CMDACTIONHEADER} \
27 ${FRAGMENTATIONACTIONHEADER} \
28 ${MOLECULEACTIONHEADER} \
29 ${PARSERACTIONHEADER} \
30 ${SELECTIONACTIONHEADER} \
31 ${TESSELATIONACTIONHEADER} \
32 ${WORLDACTIONHEADER} \
33 ValueStorage.hpp \
34 Values.hpp
35
36ANALYSISACTIONSOURCE = \
37 AnalysisAction/MolecularVolumeAction.cpp \
38 AnalysisAction/PairCorrelationAction.cpp \
39 AnalysisAction/PointCorrelationAction.cpp \
40 AnalysisAction/PrincipalAxisSystemAction.cpp \
41 AnalysisAction/SurfaceCorrelationAction.cpp
42ANALYSISACTIONHEADER = \
43 AnalysisAction/MolecularVolumeAction.hpp \
44 AnalysisAction/PairCorrelationAction.hpp \
45 AnalysisAction/PointCorrelationAction.hpp \
46 AnalysisAction/PrincipalAxisSystemAction.hpp \
47 AnalysisAction/SurfaceCorrelationAction.hpp
48
49ATOMACTIONSOURCE = \
50 AtomAction/AddAction.cpp \
51 AtomAction/ChangeElementAction.cpp \
52 AtomAction/RemoveAction.cpp \
53 AtomAction/RotateAroundOriginByAngleAction.cpp \
54 AtomAction/TranslateAction.cpp
55ATOMACTIONHEADER = \
56 AtomAction/AddAction.hpp \
57 AtomAction/ChangeElementAction.hpp \
58 AtomAction/RemoveAction.cpp \
59 AtomAction/RotateAroundOriginByAngleAction.hpp \
60 AtomAction/TranslateAction.hpp
61
62CMDACTIONSOURCE = \
63 CommandAction/BondLengthTableAction.cpp \
64 CommandAction/ElementDbAction.cpp \
65 CommandAction/FastParsingAction.cpp \
66 CommandAction/HelpAction.cpp \
67 CommandAction/VerboseAction.cpp \
68 CommandAction/VersionAction.cpp \
69 CommandAction/WarrantyAction.cpp
70CMDACTIONHEADER = \
71 CommandAction/BondLengthTableAction.hpp \
72 CommandAction/ElementDbAction.hpp \
73 CommandAction/FastParsingAction.hpp \
74 CommandAction/HelpAction.hpp \
75 CommandAction/VerboseAction.hpp \
76 CommandAction/VersionAction.hpp \
77 CommandAction/WarrantyAction.hpp
78
79FRAGMENTATIONACTIONSOURCE = \
80 FragmentationAction/ConstructBondGraphAction.cpp \
81 FragmentationAction/DepthFirstSearchAction.cpp \
82 FragmentationAction/FragmentationAction.cpp \
83 FragmentationAction/SubgraphDissectionAction.cpp
84FRAGMENTATIONACTIONHEADER = \
85 FragmentationAction/ConstructBondGraphAction.hpp \
86 FragmentationAction/DepthFirstSearchAction.hpp \
87 FragmentationAction/FragmentationAction.hpp \
88 FragmentationAction/SubgraphDissectionAction.hpp
89
90MOLECULEACTIONSOURCE = \
91 MoleculeAction/BondFileAction.cpp \
92 MoleculeAction/ChangeNameAction.cpp \
93 MoleculeAction/CopyAction.cpp \
94 MoleculeAction/FillWithMoleculeAction.cpp \
95 MoleculeAction/FillVoidWithMoleculeAction.cpp \
96 MoleculeAction/LinearInterpolationofTrajectoriesAction.cpp \
97 MoleculeAction/RotateAroundSelfByAngleAction.cpp \
98 MoleculeAction/RotateToPrincipalAxisSystemAction.cpp \
99 MoleculeAction/SaveAdjacencyAction.cpp \
100 MoleculeAction/SaveBondsAction.cpp \
101 MoleculeAction/SaveTemperatureAction.cpp \
102 MoleculeAction/SuspendInWaterAction.cpp \
103 MoleculeAction/VerletIntegrationAction.cpp
104MOLECULEACTIONHEADER = \
105 MoleculeAction/BondFileAction.hpp \
106 MoleculeAction/ChangeNameAction.hpp \
107 MoleculeAction/CopyAction.hpp \
108 MoleculeAction/FillWithMoleculeAction.hpp \
109 MoleculeAction/FillVoidWithMoleculeAction.hpp \
110 MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp \
111 MoleculeAction/RotateAroundSelfByAngleAction.hpp \
112 MoleculeAction/RotateToPrincipalAxisSystemAction.hpp \
113 MoleculeAction/SaveAdjacencyAction.hpp \
114 MoleculeAction/SaveBondsAction.hpp \
115 MoleculeAction/SaveTemperatureAction.hpp \
116 MoleculeAction/SuspendInWaterAction.hpp \
117 MoleculeAction/VerletIntegrationAction.hpp
118
119PARSERACTIONSOURCE = \
120 ParserAction/LoadXyzAction.cpp \
121 ParserAction/SaveXyzAction.cpp
122PARSERACTIONHEADER = \
123 ParserAction/LoadXyzAction.hpp \
124 ParserAction/SaveXyzAction.hpp
125
126SELECTIONACTIONSOURCE = \
127 SelectionAction/AllAtomsAction.cpp \
128 SelectionAction/AllAtomsInsideCuboidAction.cpp \
129 SelectionAction/AllAtomsInsideSphereAction.cpp \
130 SelectionAction/AllAtomsOfMoleculeAction.cpp \
131 SelectionAction/AllMoleculesAction.cpp \
132 SelectionAction/AtomByElementAction.cpp \
133 SelectionAction/AtomByIdAction.cpp \
134 SelectionAction/ClearAllAtomsAction.cpp \
135 SelectionAction/ClearAllMoleculesAction.cpp \
136 SelectionAction/MoleculeByFormulaAction.cpp \
137 SelectionAction/MoleculeByIdAction.cpp \
138 SelectionAction/MoleculeOfAtomAction.cpp \
139 SelectionAction/NotAllAtomsAction.cpp \
140 SelectionAction/NotAllAtomsInsideCuboidAction.cpp \
141 SelectionAction/NotAllAtomsInsideSphereAction.cpp \
142 SelectionAction/NotAllAtomsOfMoleculeAction.cpp \
143 SelectionAction/NotAllMoleculesAction.cpp \
144 SelectionAction/NotAtomByElementAction.cpp \
145 SelectionAction/NotAtomByIdAction.cpp \
146 SelectionAction/NotMoleculeByFormulaAction.cpp \
147 SelectionAction/NotMoleculeByIdAction.cpp \
148 SelectionAction/NotMoleculeOfAtomAction.cpp
149SELECTIONACTIONHEADER = \
150 SelectionAction/AllAtomsAction.hpp \
151 SelectionAction/AllAtomsInsideCuboidAction.hpp \
152 SelectionAction/AllAtomsInsideSphereAction.hpp \
153 SelectionAction/AllAtomsOfMoleculeAction.hpp \
154 SelectionAction/AllMoleculesAction.hpp \
155 SelectionAction/AtomByElementAction.hpp \
156 SelectionAction/AtomByIdAction.hpp \
157 SelectionAction/ClearAllAtomsAction.hpp \
158 SelectionAction/ClearAllMoleculesAction.hpp \
159 SelectionAction/MoleculeByFormulaAction.hpp \
160 SelectionAction/MoleculeByIdAction.hpp \
161 SelectionAction/MoleculeOfAtomAction.hpp \
162 SelectionAction/NotAllAtomsAction.hpp \
163 SelectionAction/NotAllAtomsInsideCuboidAction.hpp \
164 SelectionAction/NotAllAtomsInsideSphereAction.hpp \
165 SelectionAction/NotAllAtomsOfMoleculeAction.hpp \
166 SelectionAction/NotAllMoleculesAction.hpp \
167 SelectionAction/NotAtomByElementAction.hpp \
168 SelectionAction/NotAtomByIdAction.hpp \
169 SelectionAction/NotMoleculeByFormulaAction.hpp \
170 SelectionAction/NotMoleculeByIdAction.hpp \
171 SelectionAction/NotMoleculeOfAtomAction.cpp
172
173TESSELATIONACTIONSOURCE = \
174 TesselationAction/ConvexEnvelopeAction.cpp \
175 TesselationAction/NonConvexEnvelopeAction.cpp
176TESSELATIONACTIONHEADER = \
177 TesselationAction/ConvexEnvelopeAction.hpp \
178 TesselationAction/NonConvexEnvelopeAction.hpp
179
180WORLDACTIONSOURCE = \
181 WorldAction/AddEmptyBoundaryAction.cpp \
182 WorldAction/BoundInBoxAction.cpp \
183 WorldAction/CenterInBoxAction.cpp \
184 WorldAction/CenterOnEdgeAction.cpp \
185 WorldAction/ChangeBoxAction.cpp \
186 WorldAction/InputAction.cpp \
187 WorldAction/OutputAction.cpp \
188 WorldAction/RepeatBoxAction.cpp \
189 WorldAction/ScaleBoxAction.cpp \
190 WorldAction/SetDefaultNameAction.cpp \
191 WorldAction/SetGaussianBasisAction.cpp \
192 WorldAction/SetOutputFormatsAction.cpp
193WORLDACTIONHEADER = \
194 WorldAction/AddEmptyBoundaryAction.hpp \
195 WorldAction/BoundInBoxAction.hpp \
196 WorldAction/CenterInBoxAction.hpp \
197 WorldAction/CenterOnEdgeAction.hpp \
198 WorldAction/ChangeBoxAction.hpp \
199 WorldAction/InputAction.hpp \
200 WorldAction/OutputAction.hpp \
201 WorldAction/RepeatBoxAction.hpp \
202 WorldAction/ScaleBoxAction.hpp \
203 WorldAction/SetDefaultNameAction.hpp \
204 WorldAction/SetGaussianBasisAction.hpp \
205 WorldAction/SetOutputFormatsAction.hpp
206
207
208lib_LTLIBRARIES = libMolecuilderActions-@MOLECUILDER_API_VERSION@.la
209libMolecuilderActions_includedir = $(includedir)/molecuilder-$(MOLECUILDER_API_VERSION)/Actions/
210libMolecuilderActions_libs = \
211 ../Parser/libMolecuilderParser-@MOLECUILDER_API_VERSION@.la \
212 ../UIElements/libMolecuilderUI-@MOLECUILDER_API_VERSION@.la
213nobase_libMolecuilderActions_include_HEADERS = ${ACTIONSHEADER}
214
215## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
216## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
217## will therefore be treated as if it were literally part of the target name,
218## and the variable name derived from that.
219## The file extension .cc is recognized by Automake, and makes it produce
220## rules which invoke the C++ compiler to produce a libtool object file (.lo)
221## from each source file. Note that it is not necessary to list header files
222## which are already listed elsewhere in a _HEADERS variable assignment.
223libMolecuilderActions_@MOLECUILDER_API_VERSION@_la_SOURCES = ${ACTIONSSOURCE}
224
225## Instruct libtool to include ABI version information in the generated shared
226## library file (.so). The library ABI version is defined in configure.ac, so
227## that all version information is kept in one place.
228libMolecuilderActions_@MOLECUILDER_API_VERSION@_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
229
230## The generated configuration header is installed in its own subdirectory of
231## $(libdir). The reason for this is that the configuration information put
232## into this header file describes the target platform the installed library
233## has been built for. Thus the file must not be installed into a location
234## intended for architecture-independent files, as defined by the Filesystem
235## Hierarchy Standard (FHS).
236## The nodist_ prefix instructs Automake to not generate rules for including
237## the listed files in the distribution on 'make dist'. Files that are listed
238## in _HEADERS variables are normally included in the distribution, but the
239## configuration header file is generated at configure time and should not be
240## shipped with the source tarball.
241libMolecuilderActions_libincludedir = $(libdir)/molecuilder-$(MOLECUILDER_API_VERSION)/include
242nodist_libMolecuilderActions_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
243
244## Install the generated pkg-config file (.pc) into the expected location for
245## architecture-dependent package configuration information. Occasionally,
246## pkg-config files are also used for architecture-independent data packages,
247## in which case the correct install location would be $(datadir)/pkgconfig.
248pkgconfigdir = $(libdir)/pkgconfig
249pkgconfig_DATA = $(top_builddir)/molecuilder-$(MOLECUILDER_API_VERSION).pc
250
251unity.cpp:
252 echo "" > unity.cpp; \
253 list='$(ACTIONSSOURCE)'; for file in $$list; do \
254 echo "#include \"$(srcdir)/$$file\"" >> unity.cpp; \
255 done;
256
257MOSTLYCLEANFILES = unity.cpp
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