diff options
Diffstat (limited to 'academic/avogadrolibs/fix_mmtfformat_cpp.diff')
-rw-r--r-- | academic/avogadrolibs/fix_mmtfformat_cpp.diff | 31 |
1 files changed, 31 insertions, 0 deletions
diff --git a/academic/avogadrolibs/fix_mmtfformat_cpp.diff b/academic/avogadrolibs/fix_mmtfformat_cpp.diff new file mode 100644 index 0000000000..03b3994b29 --- /dev/null +++ b/academic/avogadrolibs/fix_mmtfformat_cpp.diff @@ -0,0 +1,31 @@ +Ref: https://github.com/OpenChemistry/avogadrolibs/commit/0db79eb15b2f1dda1dd07a807b98086698cfee7a +Thanks to StefanBruens from OpenChemistry project + +--- avogadrolibs-1.97.0/avogadro/io/mmtfformat.cpp 2023-20-03 18:50:00.000000000 +0200 ++++ avogadrolibs-1.97.0-fixed/avogadro/io/mmtfformat.cpp 2023-20-03 18:50:01.000000000 +0200 +@@ -33,21 +33,25 @@ + + MMTFFormat::~MMTFFormat() = default; + ++namespace { + // from latest MMTF code, under the MIT license + // https://github.com/rcsb/mmtf-cpp/blob/master/include/mmtf/structure_data.hpp ++#if MMTF_SPEC_VERSION_MAJOR <= 1 && MMTF_SPEC_VERSION_MINOR < 1 + bool is_polymer(const unsigned int chain_index, + const std::vector<mmtf::Entity>& entity_list) + { + for (const auto & i : entity_list) { + if (std::find(i.chainIndexList.begin(), + i.chainIndexList.end(), + chain_index) != i.chainIndexList.end()) { + return (i.type == "polymer" || + i.type == "POLYMER"); + } + } + return false; + } ++#endif ++} // namespace + + bool MMTFFormat::read(std::istream& file, Molecule& molecule) + { |