Revision history for Perl extension Chemistry::File::SMILES
0.47 July 7 2010
- Fix a test failure in perl-5.12, and later caused by incompatible
changes in the way perl treats length(undef).
0.46 May 10 2009
- Added a couple of non-standard symbols for convenient pseudo-atoms
R and X. (Liliana Felix Avila)
0.45 Oct 20 2005
- Silence deep recursion warnings.
0.44 Mar 29 2005
- Fixed memory leak that prevented the last atom from being garbage
collected.
0.43 Nov 17 2004
- Fixed incompatibilities with the Chemistry::File 0.30 interface;
renamed the ancient 'new' method to 'new_parser'.
- Refactored the writing code to make it more object-oriented.
- Added the 'number' option for output.
- Read atom names.
0.42 Aug 6 2004
- Fixed bug report about element symbols and empty strings (thanks to
kila_gani at yahoo.co.jp for noticing this).
- Fixed bug where ring closure digits appeared after branches on output.
- Fixed bug where non-standard hydrogen count was lost on output.
0.41 Jun 30 2004
- Fixed bug for writing SMILES that contain disconnected hydrogen atoms.
0.40 Jun 16 2004
- Added canonicalization (unique SMILES) and aromaticity support.
0.33 Jun 10 2004
0.32 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 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 May 17 2004
- Added write_string (smiles output). Aromatic atoms and disconnected
structures are still not properly implemented.
0.21 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 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 Sep 6 2003
- first release as Chemistry::Smiles