Esempio n. 1
0
  bool OBBond::IsAromatic() const
  {
    OBMol *mol = ((OBBond*)this)->GetParent();
    if (!mol->HasAromaticPerceived())
        aromtyper.AssignAromaticFlags(*mol);

    if (this->HasFlag(OB_AROMATIC_BOND))
      return true;

    return false;
  }
Esempio n. 2
0
  bool OBBond::IsAromatic() const
  {
    if (((OBBond*)this)->HasFlag(OB_AROMATIC_BOND))
      return(true);

    OBMol *mol = (OBMol*)((OBBond*)this)->GetParent();
    if (!mol->HasAromaticPerceived())
      {
        aromtyper.AssignAromaticFlags(*mol);
        if (((OBBond*)this)->HasFlag(OB_AROMATIC_BOND))
          return(true);
      }

    return(false);
  }
Esempio n. 3
0
  bool OBBond::IsTriple()
  {
    if	(HasFlag(OB_AROMATIC_BOND))
      return(false);

    if (!((OBMol*)GetParent())->HasAromaticPerceived())
      {
        aromtyper.AssignAromaticFlags(*((OBMol*)GetParent()));
      }

    if ((this->GetBondOrder()==3) && !(HasFlag(OB_AROMATIC_BOND)))
      return(true);

    return(false);
  }