diff --git a/modules/io/src/mol/omf.cc b/modules/io/src/mol/omf.cc index d96243bcc8427aecb5ff9d1f2c2c9320c88faacb..c4eb34949dfe5f51d4e5739480b4adfcea19cef5 100644 --- a/modules/io/src/mol/omf.cc +++ b/modules/io/src/mol/omf.cc @@ -21,6 +21,16 @@ namespace{ } }; + // define hash function, so we can use ResidueDefinition as key in an unordered + // map. The used hash function is overly simple and gives a hash collision + // whenever we have two residues of same name but different atom composition. + // That's hopefully rare... + struct ResidueDefinitionHash { + std::size_t operator()(const ost::io::ResidueDefinition& r) const { + return std::hash<String>()(r.name); + } + }; + // some helpers void RealToIntVec(const std::vector<Real>& real_vec, std::vector<int>& int_vec, Real factor) { diff --git a/modules/io/src/mol/omf.hh b/modules/io/src/mol/omf.hh index 721e5f8b06be3240c06b6a0de206b322ee7b9ce8..dfb655514a123d42144b43451fd5754fcafdaf08 100644 --- a/modules/io/src/mol/omf.hh +++ b/modules/io/src/mol/omf.hh @@ -75,17 +75,6 @@ struct ResidueDefinition { }; -// define hash function, so we can use ResidueDefinition as key in an unordered -// map. The used hash function is overly simple and gives a hash collision -// whenever we have two residues of same name but different atom composition. -// That's hopefully rare... -struct ResidueDefinitionHash { - std::size_t operator()(const ResidueDefinition& r) const { - return std::hash<String>()(r.name); - } -}; - - struct BioUnitDefinition { BioUnitDefinition() { }