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Commit 86eb4b1d authored by Studer Gabriel's avatar Studer Gabriel
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mmcif writer: clarify error message for negative residue numbers

Only relevant for resnum based alignments, i.e. enabled mmcif_conform flag
parent 1fdb33ed
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......@@ -713,7 +713,13 @@ namespace {
for(auto res: res_list) {
int num = res.GetNumber().GetNum();
if(num < 1) {
throw "asdf";
std::stringstream ss;
ss << "Try to construct mmCIF entity from residues using resnum ";
ss << "based alignments. Negative residue numbers are not allowed ";
ss << "in this case. Got: " << num << " in residue " << res;
ss << ". You may set mmcif_conform flag to False to write something ";
ss << "but be aware of the consequences...";
throw ost::io::IOException(ss.str());
}
res_mon_ids.push_back(res.GetName());
resnums.push_back(num);
......
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