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bugfix for atom name in RbtMdlFileSource.cxx (#93)
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related to #91

Co-authored-by: ElricleNecro <[email protected]>
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ggutierrez-sunbright and ElricleNecro authored Mar 1, 2024
1 parent 15899fb commit 293533d
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions src/lib/RbtMdlFileSource.cxx
Original file line number Diff line number Diff line change
Expand Up @@ -112,9 +112,9 @@ void RbtMdlFileSource::Parse() {

// Compose the atom name from element+atomID (i.e. C1, N2, C3 etc)
nAtomId++;
ostringstream ostr(szAtomName);
ostringstream ostr;
ostr << strElementName << nAtomId << ends;
RbtString strAtomName(szAtomName);
RbtString strAtomName(ostr.str());

// Construct a new atom (constructor only accepts the 2D params)
RbtAtomPtr spAtom(new RbtAtom(
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