Revision history for Perl extension Chemistry::File::SMILES
0.41 Wed Jun 30 2004
- Fixed bug for writing SMILES that contain disconnected hydrogen atoms.
0.40 Wed Jun 16 2004
- Added canonicalization (unique SMILES) and aromaticity support.
0.33 Thu Jun 10 2004
- Added multiline support.
0.32 Mon May 31 2004
- Changed the way disconnected structures are handled. Now "bonds" of
type . (dot) don't produce any bond in the molecule object (previous
versions added a bond with order=0).
0.31 Tue May 18 2004
- Added missing dependency on Chemistry-Mol-0.22 to Makefile.PL
- Added support for a name after the SMILES string.
0.30 Mon May 17 2004
- Added write_string (smiles output). Aromatic atoms and disconnected
structures are still not properly implemented.
0.21 Mon Mar 1 2004
- Distribution renamed to Chemistry::File::SMILES
- Use Chemistry::File interface
- Some changes in the way charges and h-counts are parsed;
(e.g., now -- is converted to -1, H is converted to 1).
0.11 Mon Nov 3 2003
- Now the default atom and bond handlers call new_atom and new_bond
instead of creating the atom and bond themselves.
- Fixed a POD error.
0.10 Fri Sep 6 2003
- first release as Chemistry::Smiles