[Avalontoolkit-discuss] Double-bond stereochemistry appearing and disappearing

[Noel O'B. <bao...@gm...>]

Hi there,

With C code similar to the following:
=======
  mol = SMIToMOL(argv[2], 0);
  ans = MOLToSMI(mol, DY_AROMATICITY);
  printf("%s\n", ans);
=======

...I find that double bond stereochemistry is not roundtripped. For example:
1. "FC=C(Cl)Br" is converted to "F/C=C(\Cl)\Br" (conflicting stereo symbols)
2. "F/C=C(Cl)/Br" is converted to "F/C=C(\Cl)\Br" (conflicting stereo
symbols and F is supposed to be trans to Br)

On the other hand, "FC=C(Cl)/Br" is correctly converted to "FC=C(Cl)Br"
(stereo not specified).

Am I doing something wrong, or is this a bug?

Regards,
   Noel (O'Boyle)