CMakeLists.txt | 12 ++++++------ libmolsketch/src/stereocenteritem.cpp | 2 +- 2 files changed, 7 insertions(+), 7 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index a4b5d29..f472b40 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -12,10 +12,10 @@ set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/cmake/modules) # compiler issues are fixed and more warnings are issued. # ########################################################### if (CMAKE_COMPILER_IS_GNUCXX) - set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wno-long-long -std=iso9899:1990 -Wundef -Wcast-align") - set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Werror-implicit-function-declaration -Wchar-subscripts") - set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wall -W -Wpointer-arith -Wwrite-strings -Wformat-security") - set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wmissing-format-attribute -fno-common") +# set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wno-long-long -std=iso9899:1990 -Wundef -Wcast-align") +# set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Werror-implicit-function-declaration -Wchar-subscripts") +# set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wall -W -Wpointer-arith -Wwrite-strings -Wformat-security") +# set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wmissing-format-attribute -fno-common") set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wnon-virtual-dtor -Wno-long-long -ansi -Wundef -Wcast-align") set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wchar-subscripts -Wall -W -Wpointer-arith -Wformat-security") set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fno-exceptions -fno-check-new -fno-common") @@ -32,7 +32,7 @@ set(CPACK_SOURCE_IGNORE_FILES "/build;/.git") include(CPack) # Unit testing, mainly useful for developers and so defaults to off -option(ENABLE_TESTS "Enable unit testing" ON) +option(ENABLE_TESTS "Enable unit testing" OFF) if(ENABLE_TESTS) set(QT_USE_QTTEST TRUE) enable_testing() @@ -48,7 +48,7 @@ configure_file("${CMAKE_MODULE_PATH}/cmake_uninstall.cmake.in" add_custom_target(uninstall "${CMAKE_COMMAND}" -P "${CMAKE_CURRENT_BINARY_DIR}/cmake_uninstall.cmake") # Enabling debugging symbols -set(CMAKE_BUILD_TYPE Debug) +# set(CMAKE_BUILD_TYPE Debug) # Enabling shared libraries set(BUILD_SHARED_LIBS OFF) diff --git a/libmolsketch/src/stereocenteritem.cpp b/libmolsketch/src/stereocenteritem.cpp index 44a8015..20f2a4a 100644 --- a/libmolsketch/src/stereocenteritem.cpp +++ b/libmolsketch/src/stereocenteritem.cpp @@ -63,7 +63,7 @@ namespace Molsketch { graphsym.GetSymmetry(symmetry_classes); //std::vector atomIds = FindTetrahedralAtoms(obmol, symmetry_classes); - std::vector units = FindStereogenicUnits(obmol, symmetry_classes); + OpenBabel::OBStereoUnitSet units = FindStereogenicUnits(obmol, symmetry_classes); for (unsigned int i = 0; i < units.size(); ++i) { if (units.at(i).type == OpenBabel::OBStereo::Tetrahedral) {