met skip list

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@336 a1961a4f-ab94-4bcc-80e8-33b5a54de466

include/cif++/Cif++.h

@@ -392,6 +392,9 @@ namespace detail
 		getRowResult(const Row& r, C... columns)
 			: mRow(r), mColumns({{columns...}}) {}
 	
+		template<typename... Ts>
+		operator std::tuple<Ts...>() const;
+	
 		const Row& mRow;
 		std::array<const char*, N> mColumns;
 	};
@@ -443,6 +446,53 @@ namespace detail
 		T& 		mVal;
 		next	mNext;
 	};
+	
+	// And to convert a getRowResult to a std::tuple
+	template<int IX, typename... Ts>
+	struct toTuple;
+	
+	template<int IX, typename T>
+	struct toTuple<IX,T>
+	{
+		template<typename RR>
+		std::tuple<T> operator()(RR& rr)
+		{
+			typedef typename std::remove_reference<T>::type basicType;
+
+			const ItemReference v = rr[IX];
+			std::tuple<T> tv = std::make_tuple(v.as<basicType>());
+			return tv;
+		};
+	};
+	
+	template<int IX, typename T, typename... Ts>
+	struct toTuple<IX,T,Ts...>
+	{
+		typedef toTuple<IX + 1, Ts...> next;
+	
+		template<typename RR>
+		std::tuple<T,Ts...> operator()(RR& rr)
+		{
+			typedef typename std::remove_reference<T>::type basicType;
+
+			const ItemReference v = rr[IX];
+			std::tuple<T> tv = std::make_tuple(v.as<basicType>());
+			
+			next n;
+			return std::tuple_cat(tv, n(rr));
+		};
+	};
+	
+	template<typename... C>
+	template<typename... Ts>
+	getRowResult<C...>::operator std::tuple<Ts...>() const
+	{
+		typedef toTuple<0, Ts...> ToTuple;
+		ToTuple tt;
+		return tt(*this);
+	}
+	
+
 }
 
 template<typename... Ts>

include/cif++/Structure.h

@@ -409,8 +409,8 @@ class Structure
 	std::tuple<std::string,int,std::string,std::string> MapLabelToPDB(
 		const std::string& asymId, int seqId, const std::string& compId) const;
 
-	std::tuple<std::string,int,std::string,std::string> MapPDBToLabel(
-		const std::string& asymId, int seqId, const std::string& compId, const std::string& iCode);
+	std::tuple<std::string,int,std::string> MapPDBToLabel(
+		const std::string& asymId, int seqId, const std::string& compId, const std::string& iCode) const;
 	
 	// Actions
 	void removeAtom(Atom& a);

src/Structure.cpp

@@ -1520,6 +1520,62 @@ tuple<string,int,string,string> Structure::MapLabelToPDB(
 	return result;
 }
 
+tuple<string,int,string> Structure::MapPDBToLabel(const string& asymId, int seqId,
+	const string& compId, const string& iCode) const
+{
+	auto& db = datablock();
+	
+	tuple<string,int,string> result;
+
+	if (iCode.empty())
+	{
+		for (auto r: db["pdbx_poly_seq_scheme"].find(
+							cif::Key("pdb_strand_id") == asymId and
+							cif::Key("pdb_seq_num") == seqId and
+							cif::Key("pdb_mon_id") == compId and
+							cif::Key("pdb_ins_code") == cif::Empty()))
+		{
+			result = r.get("asym_id", "seq_id", "mon_id");
+			break;
+		}
+							
+		for (auto r: db["pdbx_nonpoly_scheme"].find(
+							cif::Key("pdb_strand_id") == asymId and
+							cif::Key("pdb_seq_num") == seqId and
+							cif::Key("pdb_mon_id") == compId and
+							cif::Key("pdb_ins_code") == cif::Empty()))
+		{
+			result = r.get("asym_id", "ndb_seq_num", "mon_id");
+			break;
+		}
+		
+	}
+	else
+	{
+		for (auto r: db["pdbx_poly_seq_scheme"].find(
+							cif::Key("pdb_strand_id") == asymId and
+							cif::Key("pdb_seq_num") == seqId and
+							cif::Key("pdb_mon_id") == compId and
+							cif::Key("pdb_ins_code") == iCode))
+		{
+			result = r.get("asym_id", "seq_id", "mon_id");
+			break;
+		}
+							
+		for (auto r: db["pdbx_nonpoly_scheme"].find(
+							cif::Key("pdb_strand_id") == asymId and
+							cif::Key("pdb_seq_num") == seqId and
+							cif::Key("pdb_mon_id") == compId and
+							cif::Key("pdb_ins_code") == iCode))
+		{
+			result = r.get("asym_id", "ndb_seq_num", "mon_id");
+			break;
+		}
+	}
+
+	return result;
+}
+
 cif::Datablock& Structure::datablock() const
 {
 	return *mImpl->mFile->impl().mDb;