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
113
114
115
116
|
if(RDK_USE_BOOST_IOSTREAMS)
if(WIN32)
find_package(Boost ${RDK_BOOST_VERSION} COMPONENTS system iostreams REQUIRED)
set (link_iostreams ${Boost_LIBRARIES})
if (NOT Boost_USE_STATIC_LIBS)
add_definitions("-DBOOST_IOSTREAMS_DYN_LINK")
endif()
find_package(ZLIB)
include_directories(${ZLIB_INCLUDE_DIRS})
find_package(Boost ${RDK_BOOST_VERSION} COMPONENTS zlib)
if(Boost_zlib_FOUND)
set(zlib_lib Boost::zlib)
else()
set(zlib_lib ${ZLIB_LIBRARIES})
endif()
else()
find_package(Boost ${RDK_BOOST_VERSION} COMPONENTS system iostreams REQUIRED)
set (link_iostreams ${Boost_LIBRARIES})
if (NOT Boost_USE_STATIC_LIBS)
add_definitions("-DBOOST_IOSTREAMS_DYN_LINK")
endif()
find_package(ZLIB)
include_directories(${ZLIB_INCLUDE_DIRS})
set(zlib_lib ${ZLIB_LIBRARIES})
endif()
ADD_DEFINITIONS("-DRDK_USE_BOOST_IOSTREAMS")
endif(RDK_USE_BOOST_IOSTREAMS)
if(RDK_BUILD_MAEPARSER_SUPPORT)
include_directories(${maeparser_INCLUDE_DIRS})
set (maesupplier MaeMolSupplier.cpp)
endif()
if(RDK_USE_BOOST_REGEX)
add_definitions(-DRDKIT_USE_BOOST_REGEX)
find_package(Boost ${RDK_BOOST_VERSION} COMPONENTS regex REQUIRED)
set(regex_lib Boost::regex)
endif()
rdkit_library(FileParsers
CDXMLParser.cpp
Mol2FileParser.cpp MolFileParser.cpp
MolSGroupParsing.cpp MolSGroupWriting.cpp
MolFileStereochem.cpp MolFileWriter.cpp
ForwardSDMolSupplier.cpp SDMolSupplier.cpp SDWriter.cpp
SmilesMolSupplier.cpp SmilesWriter.cpp
TDTMolSupplier.cpp TDTWriter.cpp
TplFileParser.cpp TplFileWriter.cpp
PDBParser.cpp PDBWriter.cpp PDBSupplier.cpp
CMLWriter.cpp XYZFileWriter.cpp XYZFileParser.cpp
${maesupplier}
ProximityBonds.cpp
SequenceParsers.cpp SequenceWriters.cpp
SVGParser.cpp PNGParser.cpp
MultithreadedMolSupplier.cpp
MultithreadedSmilesMolSupplier.cpp
MultithreadedSDMolSupplier.cpp
LINK_LIBRARIES GenericGroups Depictor SmilesParse ChemTransforms GraphMol ${RDK_MAEPARSER_LIBS} ${regex_lib} ${link_iostreams} ${zlib_lib})
target_compile_definitions(FileParsers PRIVATE RDKIT_FILEPARSERS_BUILD)
rdkit_headers(CDXMLParser.h
FileParsers.h
FileParserUtils.h
MolFileStereochem.h
MolSupplier.h
MolWriters.h
SequenceParsers.h SequenceWriters.h
GeneralFileReader.h
MultithreadedMolSupplier.h
MultithreadedSmilesMolSupplier.h
MultithreadedSDMolSupplier.h
PNGParser.h
DEST GraphMol/FileParsers)
rdkit_test(fileParsersTest1 test1.cpp
LINK_LIBRARIES FileParsers SubstructMatch )
rdkit_test(testMolSupplier testMolSupplier.cpp
LINK_LIBRARIES FileParsers RDStreams)
rdkit_test(testGeneralFileReader testGeneralFileReader.cpp
LINK_LIBRARIES FileParsers RDStreams)
if(RDK_TEST_MULTITHREADED)
rdkit_test(testMultithreadedMolSupplier testMultithreadedMolSupplier.cpp
LINK_LIBRARIES FileParsers Fingerprints RDStreams)
endif(RDK_TEST_MULTITHREADED)
rdkit_test(testMolWriter testMolWriter.cpp LINK_LIBRARIES FileParsers )
rdkit_test(testTplParser testTpls.cpp LINK_LIBRARIES FileParsers )
rdkit_test(testMol2ToMol testMol2ToMol.cpp LINK_LIBRARIES FileParsers )
rdkit_test(testSequence testSequence.cpp LINK_LIBRARIES FileParsers )
rdkit_test(testExtendedStereoParsing testExtendedStereoParsing.cpp
LINK_LIBRARIES FileParsers )
rdkit_catch_test(fileParsersCatchTest file_parsers_catch.cpp
LINK_LIBRARIES FileParsers )
rdkit_catch_test(testPropertyLists testPropertyLists.cpp
LINK_LIBRARIES FileParsers )
rdkit_catch_test(XYZFileParserCatchTest XYZFileParserCatchTest.cpp
LINK_LIBRARIES FileParsers )
rdkit_catch_test(cdxmlParserCatchTest cdxml_parser_catch.cpp
LINK_LIBRARIES FileParsers )
|
