Hi Yingfeng, As part of the move over to Modern C++ we also changed the way atoms and bonds are stored in molecules: you now get raw pointers back instead of smart pointers. If you change your code from: boost::shared_ptr<Atom> atom = (*pCurrentROMol)[*atBegin]; to: Atom *atom = (*pCurrentROMol)[*atBegin]; or, even simpler: auto atom = (*pCurrentROMol)[*atBegin];
things should work. -greg On Wed, Dec 12, 2018 at 12:36 AM Yingfeng Wang <[email protected]> wrote: > I am using the C++ library of RDKit on Mac. My C++ code works with > RDKit_2017_09_3. However, after I switch to RDKit 2018_03_4, I got the > following error when compiling my C++ source code. > > *Database.cpp:148:33: **error: **no viable conversion from 'const > RDKit::Atom *' to* > > * 'boost::shared_ptr<Atom>'* > > boost::shared_ptr<Atom> atom = (*pCurrentROMol)[*atBegin]; > > * ^ ~~~~~~~~~~~~~~~~~~~~~~~~~~* > > */usr/local/Cellar/boost/1.68.0/include/boost/smart_ptr/shared_ptr.hpp:358:21: > **note: * > > candidate constructor not viable: no known conversion from > > 'const RDKit::Atom *' to 'boost::detail::sp_nullptr_t' (aka > 'nullptr_t') > > for 1st argument > > BOOST_CONSTEXPR shared_ptr( boost::detail::sp_nullptr_t ) > BOOST_SP_N... > > * ^* > > */usr/local/Cellar/boost/1.68.0/include/boost/smart_ptr/shared_ptr.hpp:422:5: > **note: * > > candidate constructor not viable: no known conversion from > > 'const RDKit::Atom *' to 'const boost::shared_ptr<RDKit::Atom> &' > for 1st > > argument > > shared_ptr( shared_ptr const & r ) BOOST_SP_NOEXCEPT : px( r.px ), > p... > > * ^* > > I am using Clang on Mac. The version information is given as follows. > > g++ -v > > Configured with: --prefix=/Library/Developer/CommandLineTools/usr > --with-gxx-include-dir=/Library/Developer/CommandLineTools/SDKs/MacOSX10.14.sdk/usr/include/c++/4.2.1 > > Apple LLVM version 10.0.0 (clang-1000.10.44.4) > > Target: x86_64-apple-darwin18.2.0 > > Thread model: posix > > I notice that "Starting with the 2018_03 release, the RDKit core C++ code > is written in modern C++; for this release that means C++11. " > > Actually, I also use -std=c++11 when compiling my C++ source code. I also > tested RDKit 2018_09_1 and got the similar error. I am wondering how to fix > this problem. > > Thanks. > > Yingfeng > > > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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