Deprecated List

Member OpenBabel::matrix3x3::PlaneReflection (const vector3 &norm): This method will probably replaced by a safer algorithm in the future.

Member OpenBabel::matrix3x3::RotAboutAxisByAngle (const vector3 &axis, const double angle): This method will probably replaced by a safer algorithm in the future.

Member OpenBabel::OBAtom::GetCIdx () const: Use GetCoordinateIdx() instead

Member OpenBabel::OBAtom::BeginBonds (): Use FOR_BONDS_OF_ATOM and OBAtomBondIter instead

Member OpenBabel::OBAtom::EndBonds (): Use FOR_BONDS_OF_ATOM and OBAtomBondIter instead

Member OpenBabel::OBAtom::BeginBond (std::vector< OBEdgeBase * >::iterator &i): Use FOR_BONDS_OF_ATOM and OBAtomBondIter instead

Member OpenBabel::OBAtom::NextBond (std::vector< OBEdgeBase * >::iterator &i): Use FOR_BONDS_OF_ATOM and OBAtomBondIter instead

Member OpenBabel::OBAtom::BeginNbrAtom (std::vector< OBEdgeBase * >::iterator &): Use FOR_NBORS_OF_ATOM and OBAtomAtomIter instead

Member OpenBabel::OBAtom::NextNbrAtom (std::vector< OBEdgeBase * >::iterator &): Use FOR_NBORS_OF_ATOM and OBAtomAtomIter instead

Member OpenBabel::OBBitVec::Empty (): Use IsEmpty() instead.

Member OpenBabel::OBElementTable::GetAtomicNum (const char *): Does not properly handle 'D' or 'T' hydrogen isotopes

Member OpenBabel::OBMol::BeginAtom (std::vector< OBNodeBase * >::iterator &i): Use FOR_ATOMS_OF_MOL and OBMolAtomIter instead

Member OpenBabel::OBMol::NextAtom (std::vector< OBNodeBase * >::iterator &i): Use FOR_ATOMS_OF_MOL and OBMolAtomIter instead

Member OpenBabel::OBMol::BeginBond (std::vector< OBEdgeBase * >::iterator &i): Use FOR_BONDS_OF_MOL and OBMolBondIter instead

Member OpenBabel::OBMol::NextBond (std::vector< OBEdgeBase * >::iterator &i): Use FOR_BONDS_OF_MOL and OBMolBondIter instead

Member OpenBabel::OBMol::BeginResidue (std::vector< OBResidue * >::iterator &i): Use FOR_RESIDUES_OF_MOL and OBResidueIter instead

Member OpenBabel::OBMol::NextResidue (std::vector< OBResidue * >::iterator &i): Use FOR_RESIDUES_OF_MOL and OBResidueIter instead

Member OpenBabel::OBResidue::BeginAtom (std::vector< OBAtom * >::iterator &i): Use FOR_ATOMS_OF_RESIDUE and OBResidueAtomIter instead

Member OpenBabel::OBResidue::NextAtom (std::vector< OBAtom * >::iterator &i): Use FOR_ATOMS_OF_RESIDUE and OBResidueAtomIter instead

Member OpenBabel::OBResidueData::LookupBO (const std::string &): Easier to use the two-argument form

Member OpenBabel::OBResidueData::AssignBonds (OBMol &, OBBitVec &): second OBBitVec argument is ignored

Member OpenBabel::OBTypeTable::Translate (char *to, const char *from): Because there is no guarantee on the length of an atom type you should consider using std::string instead

Member OpenBabel::vector3::normalize (): This method will probably replaced by a safer algorithm in the future.

Member OpenBabel::vector3::createOrthoVector (vector3 &v) const: This method will probably replaced by a safer algorithm in the future.

Member ThrowError: -- use OBMessageHandler class instead

Member ThrowError: Throw an error through the OpenBabel::OBMessageHandler class

Member ThrowError: -- use OBMessageHandler class instead

Member ThrowError: Throw an error through the OpenBabel::OBMessageHandler class

Member vectorAngle: This method will probably replaced by a safer algorithm in the future.