source: src/Fragmentation/Makefile.am@ a8961d

IndependentFragmentGrids_Sole_NN_Calculation
Last change on this file since a8961d was 6393ff, checked in by Frederik Heber <heber@…>, 9 years ago

Added getConnections() to SphericalPointDistribution.

  • we use tesselation in order to extract the connection information between nearest neighboring points from the BoundaryLines of the tesselation. The triangles are ideal as they assure that no point lies within a triangle, hence all these points may be safely combined.
  • functions reside in extra module as with get().
  • added extensive unit tests.
  • Property mode set to 100644
File size: 6.3 KB
Line 
1# PLEASE adhere to the alphabetical ordering in this Makefile!
2# Also indentation by a single tab
3
4FRAGMENTATIONSOURCE = \
5 Fragmentation/Exporters/ExportGraph_ToAtomFragments.cpp \
6 Fragmentation/Exporters/ExportGraph_ToFiles.cpp \
7 Fragmentation/Exporters/ExportGraph_ToJobs.cpp \
8 Fragmentation/Exporters/ExportGraph.cpp \
9 Fragmentation/Exporters/HydrogenPool.cpp \
10 Fragmentation/Exporters/SaturatedBond.cpp \
11 Fragmentation/Exporters/SaturatedFragment.cpp \
12 Fragmentation/Exporters/SaturationDistanceMaximizer.cpp \
13 Fragmentation/Exporters/SphericalPointDistribution.cpp \
14 Fragmentation/Exporters/SphericalPointDistribution_getConnections.cpp \
15 Fragmentation/Exporters/SphericalPointDistribution_getPoints.cpp \
16 Fragmentation/Homology/AtomFragmentsMap.cpp \
17 Fragmentation/Homology/FragmentEdge.cpp \
18 Fragmentation/Homology/FragmentNode.cpp \
19 Fragmentation/Homology/HomologyContainer.cpp \
20 Fragmentation/Homology/HomologyGraph.cpp \
21 Fragmentation/AdaptivityMap.cpp \
22 Fragmentation/BondsPerShortestPath.cpp \
23 Fragmentation/EnergyMatrix.cpp \
24 Fragmentation/ForceMatrix.cpp \
25 Fragmentation/Fragmentation.cpp \
26 Fragmentation/fragmentation_helpers.cpp \
27 Fragmentation/Graph.cpp \
28 Fragmentation/helpers.cpp \
29 Fragmentation/HessianMatrix.cpp \
30 Fragmentation/Interfragmenter.cpp \
31 Fragmentation/KeySet.cpp \
32 Fragmentation/MatrixContainer.cpp \
33 Fragmentation/PowerSetGenerator.cpp \
34 Fragmentation/SortIndex.cpp \
35 Fragmentation/UniqueFragments.cpp
36
37FRAGMENTATIONHEADER = \
38 Fragmentation/Exporters/ExportGraph_ToAtomFragments.hpp \
39 Fragmentation/Exporters/ExportGraph_ToFiles.hpp \
40 Fragmentation/Exporters/ExportGraph_ToJobs.hpp \
41 Fragmentation/Exporters/ExportGraph.hpp \
42 Fragmentation/Exporters/HydrogenPool.hpp \
43 Fragmentation/Exporters/SaturatedBond.hpp \
44 Fragmentation/Exporters/SaturatedFragment.hpp \
45 Fragmentation/Exporters/SaturationDistanceMaximizer.hpp \
46 Fragmentation/Exporters/SphericalPointDistribution.hpp \
47 Fragmentation/Homology/AtomFragmentsMap.hpp \
48 Fragmentation/Homology/FragmentEdge.hpp \
49 Fragmentation/Homology/FragmentNode.hpp \
50 Fragmentation/Homology/HomologyContainer.hpp \
51 Fragmentation/Homology/HomologyGraph.hpp \
52 Fragmentation/AdaptivityMap.hpp \
53 Fragmentation/AtomMask.hpp \
54 Fragmentation/BondsPerShortestPath.hpp \
55 Fragmentation/defs.hpp \
56 Fragmentation/EnergyMatrix.hpp \
57 Fragmentation/ForceMatrix.hpp \
58 Fragmentation/Fragmentation.hpp \
59 Fragmentation/fragmentation_helpers.hpp \
60 Fragmentation/Graph.hpp \
61 Fragmentation/helpers.cpp \
62 Fragmentation/helpers.hpp \
63 Fragmentation/HessianMatrix.hpp \
64 Fragmentation/HydrogenSaturation_enum.hpp \
65 Fragmentation/Interfragmenter.hpp \
66 Fragmentation/KeySet.hpp \
67 Fragmentation/MatrixContainer.hpp \
68 Fragmentation/Mask.hpp \
69 Fragmentation/MoleculeMask.hpp \
70 Fragmentation/PowerSetGenerator.hpp \
71 Fragmentation/SortIndex.hpp \
72 Fragmentation/UniqueFragments.hpp
73
74lib_LTLIBRARIES += \
75 libMolecuilderFragmentation_KeysetsContainer.la
76noinst_LTLIBRARIES += \
77 libMolecuilderFragmentation.la \
78 libMolecuilderFragmentation_getFromKeyset.la \
79 libMolecuilderFragmentation_getFromKeysetStub.la
80libMolecuilderFragmentation_la_includedir = $(includedir)/MoleCuilder/
81libMolecuilderFragmentation_KeysetsContainer_la_includedir = $(includedir)/MoleCuilder/
82libMolecuilderFragmentation_getFromKeyset_la_includedir = $(includedir)/MoleCuilder/
83libMolecuilderFragmentation_getFromKeysetStub_la_includedir = $(includedir)/MoleCuilder/
84libMolecuilderFragmentation_la_CPPFLAGS = $(AM_CPPFLAGS)
85libMolecuilderFragmentation_la_LDFLAGS = $(AM_LDFLAGS)
86libMolecuilderFragmentation_KeysetsContainer_la_LIBADD = \
87 $(CodePatterns_LIBS)
88libMolecuilderFragmentation_la_LIBADD =
89if CONDJOBMARKET
90libMolecuilderFragmentation_la_CPPFLAGS += ${JobMarket_CFLAGS}
91libMolecuilderFragmentation_la_LDFLAGS += $(JobMarket_LDFLAGS)
92libMolecuilderFragmentation_la_LIBADD += $(JobMarket_LIBS)
93endif
94
95nobase_libMolecuilderFragmentation_la_include_HEADERS = ${FRAGMENTATIONHEADER}
96nobase_libMolecuilderFragmentation_KeysetsContainer_la_include_HEADERS = \
97 Fragmentation/KeySetsContainer.hpp \
98 Fragmentation/parseKeySetFile.hpp
99
100## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
101## target. Note that @MOLECUILDER_API_VERSION@ is not interpreted by Automake and
102## will therefore be treated as if it were literally part of the target name,
103## and the variable name derived from that.
104## The file extension .cc is recognized by Automake, and makes it produce
105## rules which invoke the C++ compiler to produce a libtool object file (.lo)
106## from each source file. Note that it is not necessary to list header files
107## which are already listed elsewhere in a _HEADERS variable assignment.
108libMolecuilderFragmentation_la_SOURCES = ${FRAGMENTATIONSOURCE}
109libMolecuilderFragmentation_KeysetsContainer_la_SOURCES = \
110 Fragmentation/KeySetsContainer.cpp \
111 Fragmentation/parseKeySetFile.cpp
112libMolecuilderFragmentation_getFromKeyset_la_SOURCES = \
113 Fragmentation/Homology/HomologyGraph_getFromKeyset.cpp
114libMolecuilderFragmentation_getFromKeysetStub_la_SOURCES = \
115 Fragmentation/Homology/HomologyGraph_getFromKeysetStub.cpp
116
117## Instruct libtool to include ABI version information in the generated shared
118## library file (.so). The library ABI version is defined in configure.ac, so
119## that all version information is kept in one place.
120libMolecuilderFragmentation_KeysetsContainer_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
121
122## The generated configuration header is installed in its own subdirectory of
123## $(libdir). The reason for this is that the configuration information put
124## into this header file describes the target platform the installed library
125## has been built for. Thus the file must not be installed into a location
126## intended for architecture-independent files, as defined by the Filesystem
127## Hierarchy Standard (FHS).
128## The nodist_ prefix instructs Automake to not generate rules for including
129## the listed files in the distribution on 'make dist'. Files that are listed
130## in _HEADERS variables are normally included in the distribution, but the
131## configuration header file is generated at configure time and should not be
132## shipped with the source tarball.
133libMolecuilderFragmentation_KeysetsContainer_libincludedir = $(libdir)/MoleCuilder/include
134nodist_libMolecuilderFragmentation_KeysetsContainer_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
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