Commit fd080e77 by Maarten L. Hekkelman

Changes for MacOS/MSVC

parent 9d155412
...@@ -393,8 +393,8 @@ BondMap::BondMap(const Structure &p) ...@@ -393,8 +393,8 @@ BondMap::BondMap(const Structure &p)
{ {
std::vector<Atom> rAtoms; std::vector<Atom> rAtoms;
copy_if(atoms.begin(), atoms.end(), back_inserter(rAtoms), copy_if(atoms.begin(), atoms.end(), back_inserter(rAtoms),
[&](const Atom &a) [id = asym_id, nr = pdb_seq_num](const Atom &a)
{ return a.labelAsymID() == asym_id and a.authSeqID() == pdb_seq_num; }); { return a.labelAsymID() == id and a.authSeqID() == nr; });
for (uint32_t i = 0; i + 1 < rAtoms.size(); ++i) for (uint32_t i = 0; i + 1 < rAtoms.size(); ++i)
{ {
......
...@@ -274,7 +274,7 @@ class CompoundFactoryImpl : public std::enable_shared_from_this<CompoundFactoryI ...@@ -274,7 +274,7 @@ class CompoundFactoryImpl : public std::enable_shared_from_this<CompoundFactoryI
public: public:
CompoundFactoryImpl(std::shared_ptr<CompoundFactoryImpl> next); CompoundFactoryImpl(std::shared_ptr<CompoundFactoryImpl> next);
CompoundFactoryImpl(const std::filesystem::path &file, std::shared_ptr<CompoundFactoryImpl> next); CompoundFactoryImpl(const fs::path &file, std::shared_ptr<CompoundFactoryImpl> next);
virtual ~CompoundFactoryImpl() virtual ~CompoundFactoryImpl()
{ {
...@@ -368,7 +368,7 @@ CompoundFactoryImpl::CompoundFactoryImpl(std::shared_ptr<CompoundFactoryImpl> ne ...@@ -368,7 +368,7 @@ CompoundFactoryImpl::CompoundFactoryImpl(std::shared_ptr<CompoundFactoryImpl> ne
mKnownBases.insert(key); mKnownBases.insert(key);
} }
CompoundFactoryImpl::CompoundFactoryImpl(const std::filesystem::path &file, std::shared_ptr<CompoundFactoryImpl> next) CompoundFactoryImpl::CompoundFactoryImpl(const fs::path &file, std::shared_ptr<CompoundFactoryImpl> next)
: mNext(next) : mNext(next)
{ {
cif::File cifFile(file); cif::File cifFile(file);
...@@ -684,7 +684,7 @@ void CompoundFactory::clear() ...@@ -684,7 +684,7 @@ void CompoundFactory::clear()
sInstance.reset(); sInstance.reset();
} }
void CompoundFactory::setDefaultDictionary(const std::filesystem::path &inDictFile) void CompoundFactory::setDefaultDictionary(const fs::path &inDictFile)
{ {
if (not fs::exists(inDictFile)) if (not fs::exists(inDictFile))
throw std::runtime_error("file not found: " + inDictFile.string()); throw std::runtime_error("file not found: " + inDictFile.string());
...@@ -701,7 +701,7 @@ void CompoundFactory::setDefaultDictionary(const std::filesystem::path &inDictFi ...@@ -701,7 +701,7 @@ void CompoundFactory::setDefaultDictionary(const std::filesystem::path &inDictFi
} }
} }
void CompoundFactory::pushDictionary(const std::filesystem::path &inDictFile) void CompoundFactory::pushDictionary(const fs::path &inDictFile)
{ {
if (not fs::exists(inDictFile)) if (not fs::exists(inDictFile))
throw std::runtime_error("file not found: " + inDictFile.string()); throw std::runtime_error("file not found: " + inDictFile.string());
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment