https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/branches/openbabel-2-2-x
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r3071 | baoilleach | 2009-06-18 11:08:17 +0200 (Thu, 18 Jun 2009) | 1 line
bump python scripting to 1.5
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r3073 | ghutchis | 2009-06-19 21:17:13 +0200 (Fri, 19 Jun 2009) | 2 lines
Fix typo in FOR_RINGS_OF_MOL macro.
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r3074 | ghutchis | 2009-06-19 23:09:34 +0200 (Fri, 19 Jun 2009) | 6 lines
* src/kekulize.cpp (expandcycle): Fix PR#2705497. Kekulize has
problems with fused aromatic rings joined by a non-aromatic
ring. Make sure when expanding aromatic cycles that we only accept
atoms which are in the *same* ring from OBMol::GetSSSR().
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r3075 | ghutchis | 2009-06-20 00:27:22 +0200 (Sat, 20 Jun 2009) | 2 lines
Fix for PR#1814248.
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r3076 | ghutchis | 2009-06-20 14:51:29 +0200 (Sat, 20 Jun 2009) | 6 lines
* src/kekulize.cpp (expandcycle): Rewritten as cleaner recursive
function. Look for largest possible aromatic cycle. Fixes more
bugs, but still has issues with "figure 8" ring systems,
e.g. c12n(nnn1)cccc2.
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r3077 | ghutchis | 2009-06-20 14:51:51 +0200 (Sat, 20 Jun 2009) | 3 lines
* test/*: Update with recent changes.
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r3078 | ghutchis | 2009-06-20 16:57:32 +0200 (Sat, 20 Jun 2009) | 5 lines
* src/kekulize.cpp (expandcycle): Rewritten as cleaner recursive
function. Look for largest possible aromatic cycle, including
handling fused "figure 8" ring systems.
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r3079 | ghutchis | 2009-06-20 16:57:45 +0200 (Sat, 20 Jun 2009) | 3 lines
* test/*: Update with recent changes.
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r3080 | ghutchis | 2009-06-20 17:16:47 +0200 (Sat, 20 Jun 2009) | 2 lines
More fixes -- use Noel's atom precidence. Fixes problems with azole rings with pyrrole vs. pyridynyl atoms.
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* scripts/openbabel-python.i: Updated SWIG interface file to ignore 21 methods of each std::vector created. This should substantially reduce the size of the wrapper code
