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f7ea463738
Signed-off-by: bedlam <dave@slackbuilds.org> Signed-off-by: Willy Sudiarto Raharjo <willysr@slackbuilds.org>
31 lines
1.1 KiB
Diff
31 lines
1.1 KiB
Diff
Ref: https://github.com/OpenChemistry/avogadrolibs/commit/0db79eb15b2f1dda1dd07a807b98086698cfee7a
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Thanks to StefanBruens from OpenChemistry project
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--- avogadrolibs-1.97.0/avogadro/io/mmtfformat.cpp 2023-20-03 18:50:00.000000000 +0200
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+++ avogadrolibs-1.97.0-fixed/avogadro/io/mmtfformat.cpp 2023-20-03 18:50:01.000000000 +0200
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@@ -33,21 +33,25 @@
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MMTFFormat::~MMTFFormat() = default;
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+namespace {
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// from latest MMTF code, under the MIT license
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// https://github.com/rcsb/mmtf-cpp/blob/master/include/mmtf/structure_data.hpp
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+#if MMTF_SPEC_VERSION_MAJOR <= 1 && MMTF_SPEC_VERSION_MINOR < 1
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bool is_polymer(const unsigned int chain_index,
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const std::vector<mmtf::Entity>& entity_list)
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{
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for (const auto & i : entity_list) {
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if (std::find(i.chainIndexList.begin(),
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i.chainIndexList.end(),
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chain_index) != i.chainIndexList.end()) {
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return (i.type == "polymer" ||
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i.type == "POLYMER");
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}
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}
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return false;
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}
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+#endif
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+} // namespace
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bool MMTFFormat::read(std::istream& file, Molecule& molecule)
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{
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