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
|
if(RDK_USE_FLEXBISON)
FIND_PACKAGE(BISON)
FIND_PACKAGE(FLEX)
else(RDK_USE_FLEXBISON)
set(FLEX_EXECUTABLE "")
set(BISON_EXECUTABLE "")
endif(RDK_USE_FLEXBISON)
if(MSVC)
ADD_DEFINITIONS("/D YY_NO_UNISTD_H")
endif()
if(FLEX_EXECUTABLE)
FLEX_TARGET(SmilesL smiles.ll
${CMAKE_CURRENT_SOURCE_DIR}/lex.yysmiles.cpp
COMPILE_FLAGS "-Pyysmiles_" )
FLEX_TARGET(SmartsL smarts.ll
${CMAKE_CURRENT_SOURCE_DIR}/lex.yysmarts.cpp
COMPILE_FLAGS "-Pyysmarts_" )
SET(FLEX_OUTPUT_FILES ${FLEX_SmilesL_OUTPUTS} ${FLEX_SmartsL_OUTPUTS})
else(FLEX_EXECUTABLE)
CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/lex.yysmiles.cpp.cmake
${CMAKE_CURRENT_SOURCE_DIR}/lex.yysmiles.cpp COPYONLY)
CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/lex.yysmarts.cpp.cmake
${CMAKE_CURRENT_SOURCE_DIR}/lex.yysmarts.cpp COPYONLY)
FILE(GLOB FLEX_OUTPUT_FILES "${CMAKE_CURRENT_SOURCE_DIR}/lex.*.cpp")
endif(FLEX_EXECUTABLE)
if(BISON_EXECUTABLE)
BISON_TARGET(SmilesY smiles.yy
${CMAKE_CURRENT_SOURCE_DIR}/smiles.tab.cpp
COMPILE_FLAGS "-pyysmiles_" )
BISON_TARGET(SmartsY smarts.yy
${CMAKE_CURRENT_SOURCE_DIR}/smarts.tab.cpp
COMPILE_FLAGS "-pyysmarts_" )
SET(BISON_OUTPUT_FILES ${BISON_SmilesY_OUTPUTS} ${BISON_SmartsY_OUTPUTS})
if(FLEX_EXECUTABLE)
ADD_FLEX_BISON_DEPENDENCY(SmilesL SmilesY)
ADD_FLEX_BISON_DEPENDENCY(SmartsL SmartsY)
endif(FLEX_EXECUTABLE)
else(BISON_EXECUTABLE)
CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/smiles.tab.hpp.cmake
${CMAKE_CURRENT_SOURCE_DIR}/smiles.tab.hpp COPYONLY)
CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/smiles.tab.cpp.cmake
${CMAKE_CURRENT_SOURCE_DIR}/smiles.tab.cpp COPYONLY)
CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/smarts.tab.hpp.cmake
${CMAKE_CURRENT_SOURCE_DIR}/smarts.tab.hpp COPYONLY)
CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/smarts.tab.cpp.cmake
${CMAKE_CURRENT_SOURCE_DIR}/smarts.tab.cpp COPYONLY)
FILE(GLOB BISON_OUTPUT_FILES "${CMAKE_CURRENT_SOURCE_DIR}/*.tab.?pp")
endif(BISON_EXECUTABLE)
remove_definitions(-DRDKIT_GRAPHMOL_BUILD)
add_definitions(-DRDKIT_SMILESPARSE_BUILD)
rdkit_library(SmilesParse
SmilesParse.cpp SmilesParseOps.cpp
SmilesWrite.cpp SmartsWrite.cpp CXSmilesOps.cpp
${BISON_OUTPUT_FILES}
${FLEX_OUTPUT_FILES}
LINK_LIBRARIES GraphMol)
rdkit_headers(primes.h
SmartsWrite.h
SmilesParse.h
SmilesParseOps.h
SmilesWrite.h DEST GraphMol/SmilesParse)
rdkit_test(smiTest1 test.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol RDGeneral RDGeometryLib )
rdkit_test(smiTest2 test2.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeneral RDGeometryLib )
rdkit_test(cxsmilesTest cxsmiles_test.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol RDGeneral RDGeometryLib )
rdkit_test(smaTest1 smatest.cpp LINK_LIBRARIES SmilesParse SubstructMatch GraphMol RDGeneral RDGeometryLib )
rdkit_catch_test(smiTestCatch catch_tests.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol RDGeneral RDGeometryLib )
|
