1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
|
rdkit_library(GraphMol
Atom.cpp QueryAtom.cpp QueryBond.cpp Bond.cpp
MolOps.cpp FindRings.cpp ROMol.cpp RWMol.cpp PeriodicTable.cpp
atomic_data.cpp QueryOps.cpp MolPickler.cpp Canon.cpp
AtomIterators.cpp BondIterators.cpp Aromaticity.cpp Kekulize.cpp
MolDiscriminators.cpp ConjugHybrid.cpp AddHs.cpp
Matrices.cpp Chirality.cpp RingInfo.cpp Conformer.cpp
Renumber.cpp AdjustQuery.cpp Resonance.cpp
new_canon.cpp
SHARED
LINK_LIBRARIES RDGeometryLib RDGeneral
${RDKit_THREAD_LIBS})
target_link_libraries(GraphMol ${RDKit_THREAD_LIBS})
rdkit_headers(Atom.h
atomic_data.h
AtomIterators.h
Bond.h
BondIterators.h
Canon.h
Chirality.h
Conformer.h
details.h
GraphMol.h
MolOps.h
MolPickler.h
PeriodicTable.h
QueryAtom.h
QueryBond.h
QueryOps.h
RDKitBase.h
RDKitQueries.h
Resonance.h
RingInfo.h
Rings.h
ROMol.h
RWMol.h
SanitException.h
MonomerInfo.h
new_canon.h
DEST GraphMol)
add_subdirectory(Depictor)
add_subdirectory(SmilesParse)
add_subdirectory(FileParsers)
add_subdirectory(Substruct)
add_subdirectory(ChemReactions)
add_subdirectory(ChemTransforms)
add_subdirectory(Subgraphs)
add_subdirectory(FilterCatalog)
add_subdirectory(FragCatalog)
add_subdirectory(Descriptors)
add_subdirectory(Fingerprints)
add_subdirectory(PartialCharges)
add_subdirectory(MolTransforms)
add_subdirectory(ForceFieldHelpers)
add_subdirectory(DistGeomHelpers)
add_subdirectory(MolAlign)
add_subdirectory(MolChemicalFeatures)
add_subdirectory(ShapeHelpers)
add_subdirectory(MolCatalog)
add_subdirectory(MolDrawing)
add_subdirectory(MolDraw2D)
add_subdirectory(FMCS)
add_subdirectory(MolHash)
add_subdirectory(MMPA)
add_subdirectory(ReducedGraphs)
if(RDK_BUILD_SLN_SUPPORT AND NOT CMAKE_COMPILER_IS_CLANG)
add_subdirectory(SLNParse)
endif()
add_subdirectory(Wrap)
rdkit_test(graphmolTest1 test1.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol RDGeometryLib RDGeneral)
rdkit_test(graphmolcpTest cptest.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral)
rdkit_test(graphmolqueryTest querytest.cpp LINK_LIBRARIES SubstructMatch SmilesParse GraphMol RDGeometryLib RDGeneral)
rdkit_test(graphmolMolOpsTest molopstest.cpp
LINK_LIBRARIES SubstructMatch FileParsers SmilesParse GraphMol RDGeometryLib RDGeneral)
rdkit_test(graphmoltestCanon testCanon.cpp
LINK_LIBRARIES SubstructMatch SmilesParse GraphMol RDGeometryLib RDGeneral)
rdkit_test(graphmoltestChirality testChirality.cpp
LINK_LIBRARIES SmilesParse FileParsers GraphMol RDGeometryLib RDGeneral)
rdkit_test(graphmoltestPickler testPickler.cpp
LINK_LIBRARIES SmilesParse SubstructMatch FileParsers GraphMol RDGeometryLib RDGeneral)
rdkit_test(graphmolIterTest itertest.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral)
#rdkit_test(hanoiTest hanoitest.cpp LINK_LIBRARIES SmilesParse_static FileParsers_static GraphMol_static
# RDGeometryLib_static RDGeneral_static ${RDKit_THREAD_LIBS} )
rdkit_test(hanoiTest hanoitest.cpp LINK_LIBRARIES SmilesParse FileParsers GraphMol
RDGeometryLib RDGeneral ${RDKit_THREAD_LIBS} )
rdkit_test(graphmolMemTest1 memtest1.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral)
rdkit_test(resMolSupplierTest resMolSupplierTest.cpp
LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral SubstructMatch FileParsers)
|
