code to facilitate DSSP

66f742d6 · Maarten L. Hekkelman · 7ba9f688 · 66f742d6 · 66f742d6
Commit 66f742d6 authored Dec 14, 2021 by Maarten L. Hekkelman
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include/cif++/Secondary.hpp
+9 -0

src/Secondary.cpp
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--- a/include/cif++/Secondary.hpp
+++ b/include/cif++/Secondary.hpp
@@ -184,6 +184,15 @@ class DSSP
 		std::tuple<ResidueInfo,double> acceptor(int i) const;
 		std::tuple<ResidueInfo,double> donor(int i) const;
+		/// \brief Simple compare equals
+		bool operator==(const ResidueInfo &rhs) const
+		{
+			return mImpl == rhs.mImpl;
+		}
+		/// \brief Returns \result true if there is a bond between two residues
+		friend bool TestBond(ResidueInfo const &a, ResidueInfo const &b);
 	  private:
 		ResidueInfo(Res* res) : mImpl(res) {}

--- a/src/Secondary.cpp
+++ b/src/Secondary.cpp