diff --git a/modules/mol/mm/src/settings.hh b/modules/mol/mm/src/settings.hh index 639ddc9b487b7f3d9fcdc8d7a59d4ea9ae1f5472..ddd3067c04b518d21f6e16500993917f2400fb27 100644 --- a/modules/mol/mm/src/settings.hh +++ b/modules/mol/mm/src/settings.hh @@ -43,11 +43,11 @@ public: TerminiExceptions(){ } void SetException(const ost::mol::ResidueHandle& res, const String& exception_name){ - exceptions_[res.GetQualifiedName()] = exception_name; + exceptions_[res.GetHashCode()] = exception_name; } bool HasException(const ost::mol::ResidueHandle& res) const{ - return exceptions_.find(res.GetQualifiedName()) != exceptions_.end(); + return exceptions_.find(res.GetHashCode()) != exceptions_.end(); } String GetException(const ost::mol::ResidueHandle& res) const { @@ -56,11 +56,11 @@ public: ss<<"Tried to get termini exceptions of res "<<res<<" without defined exception!"; throw ost::Error(ss.str()); } - std::map<String, String>::const_iterator i = exceptions_.find(res.GetQualifiedName()); + std::map<unsigned long, String>::const_iterator i = exceptions_.find(res.GetHashCode()); return i->second; } private: - std::map<String, String> exceptions_; + std::map<unsigned long, String> exceptions_; };