Revision history for Perl extension Chemistry::Mok.
0.25 May 16 2005
- Read one molecule at a time using the Chemistry-Mol-0.30 interface.
- New special variable $FH
- Added support for Chemistry::3DBuilder (-3 command-line option)
- Add #line to the generated code so that errors give more meaninful
line numbers.
- Fixed parsing bug where the first block used an explicit pattern
language
- Restructured Chemistry::Mok to be more object-oriented:
- WARNING: the mok object is now a hash reference instead of an array
reference. This may affect derived classes.
0.24 Mar 4 2005
- Added -D option
- Added support for multiple pattern languages on the same
script.
0.23 Aug 7 2004
- New option -d (delete dummies)
- don't buffer stdio
- New option -a (aromatize)
0.22 Jul 03 2004
- Make sure molecules are read by their default classes instead
of Chemistry::Mol.
0.21 Jun 18 2004
- Made SMARTS the default pattern language; added -p option.
- Added the println function.
- Added implicit globbing to mok under MSWin32.
- Changed tests for better MSWin32 compatibility.
0.20 Jun 10 2004
- Support for different pattern languages.
- User package now imports from Chemistry::Atom and Math::VectorReal.
- Fixed error when an implicit block had leading comments.
0.16 May 19 2004
- Added -b option (add bonds)
- Added support for comments outside action blocks
- Fixed undef $/ bug.
0.15 Mar 4 2004
- Bug fixes: pattern options were ignored, -f option didn't work.
- Changes: special variables $MOL, $PATT, $FILE, $MATCH are now
uppercase.
- Features: new special variables @A and @B.
- Documentation: fixed some errors, revised examples.
- Tests: added a few simple tests, based on the examples in the POD.
See *.mok. The tests use the *.mol files that are provided. Note that
Chemistry::File::MDLMol must be installed for the tests to work.
0.10 Mar 1 2004
- First release