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Commit 06677583 authored by Marco Biasini's avatar Marco Biasini
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Maybe improve guessing of atom element

parent a0f48c2c
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...@@ -113,7 +113,7 @@ String Builder::GuessAtomElement(const String& aname, bool hetatm) ...@@ -113,7 +113,7 @@ String Builder::GuessAtomElement(const String& aname, bool hetatm)
} }
// two characters // two characters
if(ele.size()==2) { if(aname.size()==2) {
for(int i=0;i<l2c;i++) { for(int i=0;i<l2c;i++) {
if(ele==l2[i]) return ele; if(ele==l2[i]) return ele;
} }
...@@ -147,7 +147,7 @@ String Builder::GuessAtomElement(const String& aname, bool hetatm) ...@@ -147,7 +147,7 @@ String Builder::GuessAtomElement(const String& aname, bool hetatm)
if(ele==l3[i]) return ele; if(ele==l3[i]) return ele;
} }
} }
return ""; return String(1, aname[0]);
} }
bool Builder::AreResiduesConsecutive(const mol::ResidueHandle& r1, bool Builder::AreResiduesConsecutive(const mol::ResidueHandle& r1,
......
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