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Various updates to stereochemistry

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* Use Config structs for Tetrahedral and CisTrans
* Merge Changes from Noel

Conflicts:

	scripts/CMakeLists.txt
	src/formats/smilesformat.cpp
This commit is contained in:
Tim Vandermeersch
2009-07-18 22:21:03 +00:00
parent 6156d63291
commit 06ac95285d
38 changed files with 3065 additions and 583 deletions
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scripts/CMakeLists.txt
+16 -2
View File
@@ -1,3 +1,4 @@
cmake_minimum_required(VERSION 2.6.0)
# This module finds an installed SWIG. It sets the following variables:
# SWIG_FOUND - set to true if SWIG is found
# SWIG_DIR - the directory where swig is installed
@@ -41,7 +42,20 @@ include_directories(
set_source_files_properties(openbabel-python.i PROPERTIES CPLUSPLUS ON)
set(CMAKE_SWIG_FLAGS -small -O -python -templatereduce -naturalvar)
swig_add_module(_openbabel c++ openbabel-python.i)
swig_link_libraries(_openbabel openbabel ${PYTHON_LIBRARIES})
swig_link_libraries(_openbabel openbabel)
add_custom_command(TARGET _openbabel POST_BUILD
COMMAND ${CMAKE_COMMAND} -E echo "import sys" > ob.py
COMMAND ${CMAKE_COMMAND} -E echo "import sys" > ob.py
COMMAND ${CMAKE_COMMAND} -E echo "if sys.platform.find('linux'\) != -1:" >> ob.py
COMMAND ${CMAKE_COMMAND} -E echo " try:" >> ob.py
COMMAND ${CMAKE_COMMAND} -E echo " import dl" >> ob.py
COMMAND ${CMAKE_COMMAND} -E echo " except ImportError:" >> ob.py
COMMAND ${CMAKE_COMMAND} -E echo " import DLFCN as dl" >> ob.py
COMMAND ${CMAKE_COMMAND} -E echo " sys.setdlopenflags(sys.getdlopenflags() | dl.RTLD_GLOBAL)" >> ob.py
COMMAND cat openbabel.py >> ob.py
COMMAND ${CMAKE_COMMAND} -E copy ob.py openbabel.py
VERBATIM)
# find site-packages dir...
execute_process(COMMAND ${PYTHON_EXECUTABLE} -c
@@ -50,6 +64,6 @@ execute_process(COMMAND ${PYTHON_EXECUTABLE} -c
message(STATUS "Python site-packages directory: ${PYTHON_LIB_PATH}")
install(TARGETS _openbabel DESTINATION ${PYTHON_LIB_PATH})
install(FILES openbabel.py DESTINATION ${PYTHON_LIB_PATH})
install(FILES ${CMAKE_CURRENT_BINARY_DIR}/openbabel.py DESTINATION ${PYTHON_LIB_PATH})