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Commit d9fdb9a0 authored by Studer Gabriel's avatar Studer Gabriel
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move stuff out of header file

parent e6b9a408
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...@@ -21,6 +21,16 @@ namespace{ ...@@ -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 // some helpers
void RealToIntVec(const std::vector<Real>& real_vec, void RealToIntVec(const std::vector<Real>& real_vec,
std::vector<int>& int_vec, Real factor) { std::vector<int>& int_vec, Real factor) {
......
...@@ -75,17 +75,6 @@ struct ResidueDefinition { ...@@ -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 { struct BioUnitDefinition {
BioUnitDefinition() { } BioUnitDefinition() { }
......
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