Function write_cdxml 

pub fn write_cdxml(mol: &Molecule, coords: &[(f64, f64)]) -> String

Serialise mol to a minimal CDXML document that parse_cdxml can read back. See the module docs for the self-round-trip scope of this writer.

coords[i] is the (x, y) position for atom i, in the same ChemDraw Y-down convention parse_cdxml produces. Atoms beyond coords.len() receive (0.0, 0.0).