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Fixed a bug that C.ar was converted to C3 when reading mol2 files #2558

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Fixed a bug that C.ar was converted to C3 when reading mol2 files #2558

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5e914b0
Fixed a bug that C.ar atomtype was converted to C3 when reading mol2 …
gfzhou Jan 16, 2023
64159b2
Merge branch 'openbabel:master' into master
gfzhou Oct 24, 2023
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8 changes: 4 additions & 4 deletions src/formats/mol2format.cpp
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Expand Up @@ -458,6 +458,10 @@ namespace OpenBabel
mol.AddBond(start, end, order, flags);
}

// Suggestion by Liu Zhiguo 2008-01-26
// Mol2 files define atom types -- there is no need to re-perceive
mol.SetAtomTypesPerceived();

// TODO: Add a test case for the statement below of Paolo Tosco
// - I am currently assuming that is not a problem for the
// the current kekulization code, but it needs to be
Expand Down Expand Up @@ -550,10 +554,6 @@ namespace OpenBabel

mol.EndModify();

// Suggestion by Liu Zhiguo 2008-01-26
// Mol2 files define atom types -- there is no need to re-perceive
mol.SetAtomTypesPerceived();

if (has_residue_information)
mol.SetChainsPerceived();

Expand Down