From 4584ef7dcda74a8ce33e97e8cbf46bba98327d89 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Fri, 24 Apr 2015 19:55:59 +0200
Subject: [PATCH] it's rather useless to uniquely identify a residue by its
name when it could be renamed in the meantime...
---
modules/mol/mm/src/settings.hh | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/modules/mol/mm/src/settings.hh b/modules/mol/mm/src/settings.hh
index 639ddc9b4..ddd3067c0 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_;
};
--
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