void OBAtomTyper::AssignHyb(OBMol &mol)
{
if (!_init)
Init();
aromtyper.AssignAromaticFlags(mol);
mol.SetHybridizationPerceived();
obErrorLog.ThrowError(__FUNCTION__,
"Ran OpenBabel::AssignHybridization", obAuditMsg);
OBAtom *atom;
vector<OBAtom*>::iterator k;
for (atom = mol.BeginAtom(k);atom;atom = mol.NextAtom(k))
atom->SetHyb(0);
vector<vector<int> >::iterator j;
vector<pair<OBSmartsPattern*,int> >::iterator i;
for (i = _vinthyb.begin();i != _vinthyb.end();++i)
if (i->first->Match(mol))
{
_mlist = i->first->GetMapList();
for (j = _mlist.begin();j != _mlist.end();++j)
mol.GetAtom((*j)[0])->SetHyb(i->second);
}
}
