ITUB / Chemistry-File-SMILES-0.47 / Changes 

            

              
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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
        - Added multiline support.
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