Commit eda40b8e by maarten

fixed tortoize again

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@512 a1961a4f-ab94-4bcc-80e8-33b5a54de466
parent c0c4be78
......@@ -1024,6 +1024,8 @@ float Monomer::chi(size_t nr) const
{
float result = 0;
try
{
auto i = kChiAtomsMap.find(mCompoundID);
if (i != kChiAtomsMap.end() and nr < i->second.size())
{
......@@ -1045,6 +1047,13 @@ float Monomer::chi(size_t nr) const
atomByID(atoms[nr + 3]).location()
);
}
}
catch(const std::exception& e)
{
if (cif::VERBOSE)
std::cerr << e.what() << std::endl;
result = 0;
}
return result;
}
......
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