Todo List

Member OpenBabel::matrix3x3::Get (int row, int column) const: Replace this method with a more fool-proof version.

Member OpenBabel::matrix3x3::Set (int row, int column, double v): Replace this method with a more fool-proof version.

Member OpenBabel::matrix3x3::PlaneReflection (const vector3 &norm): Replace this method with a more fool-proof version.

Member OpenBabel::matrix3x3::RotAboutAxisByAngle (const vector3 &axis, const double angle): Replace this method with a more fool-proof version.

Member OpenBabel::OBBond::IsSecondaryAmide (): Implement this properly -- currently always returns false

Class OBSymmetryData: Add support for translation between symbol notations. Add symmetry perception routines.

Member OpenBabel::vector3::normalize (): Replace this method with a more fool-proof version.

Member OpenBabel::vector3::createOrthoVector (vector3 &v) const: Replace this method with a more fool-proof version that does not call exit()

File bondtyper.cpp: Needs to add aromatic ring bond order assignment. Eventually need to migrate OBMol::PerceiveBondOrders(), OBMol::ConnectTheDots(), and possibly some of the Kekulize routines

Member vectorAngle: Replace this method with a more fool-proof version.