Greg Landrum
7e0916f7b3
additional tests for sf.net bug 1934360.
...
fix and test bug 1940646.
a bit of refactoring of the aromaticity code
2008-04-12 13:48:46 +00:00
Greg Landrum
61b05af6fc
Modify suppliers and parsers so that they don't throw
...
exceptions into python when reading a bad molecule. (Feature
request 1932875)
Modify constructors for both suppliers and parsers so that
throw BadFileExceptions if they cannot open the file. (Feature
request 1938303)
2008-04-09 03:33:49 +00:00
Greg Landrum
c86ee3fcf6
implement and test feature request 1906758 :
...
support dimensionality flag on conformations
https://sourceforge.net/tracker/index.php?func=detail&aid=1906758&group_id=160139&atid=814653
2008-03-04 07:06:26 +00:00
Greg Landrum
3c57caabfb
partially tested fix for sf.net bug 1894348
2008-02-15 16:13:12 +00:00
Greg Landrum
f746f26165
remove a compiler warning;stop using sprintf when writing mol files
2008-02-14 07:32:08 +00:00
Greg Landrum
aefdd50def
remove a compiler warning
2008-01-04 07:18:42 +00:00
Greg Landrum
3e7dbcf66a
start to add better support for MDL mol files.
...
this is sf.net issue 1756962: https://sourceforge.net/tracker/?func=detail&atid=814653&aid=1756962&group_id=160139
2007-07-19 16:41:11 +00:00
Greg Landrum
05efa716e3
fix a core leak
2006-11-16 05:00:02 +00:00
Greg Landrum
5d03333c22
setup svn keywords (should have done this before import... grn)
2006-05-06 22:54:39 +00:00
Greg Landrum
75a79b6327
initial import
2006-05-06 22:20:08 +00:00
