openbabel/test

    // Need to test:
    // atomic spin (i.e. radicals)
    // stereochemistry
    // bond types
    // atom types
    // fractional coordinate conversion
    // internal -> cartesian conversion
    // cartesian -> internal conversion
    // residue information
    // isotopes
    // chain information
    // chain perception
    // bond type perception
    // aromatic perception
    // ring perception
    // chirality perception
    // compress / uncompress
    // NumRotors

    // Builder utils
    // H->Methyl
    // Add hydrogens
    // SetHybAndGeom
    // SetLength
    // SetTorsion (obrotate)
    // Center
    // ToIntertialFrame
    // Rotate
    // Kekulize
    // Delete hydrogens
    // Add polar hydrogens
    // Add pH hydrogens
    // strip salts
    // obfit