update release notes

This commit is contained in:
Greg Landrum
2017-10-04 04:51:10 +02:00
parent 0775cf0da5
commit b7d2cfbc8e

View File

@@ -5,6 +5,10 @@
- The fix for bug #1567 changes the way fragment SMILES are canonicalized.
MolFragmentToSmiles() and canonicalizeFragment() will now often return
different results
- The fix for bug #1604 changes the behavior of QueryAtom::setQuery(), which
now deletes the current query before setting the new value. If you are using
QueryAtom::setQuery() from C++ (or possibly Java), be sure that you are not
also deleting that memory.
## Acknowledgements:
Brian Cole, Peter Gedeck, Guillaume Godin, Malitha Kabir, Tuomo Kalliokoski,
@@ -23,8 +27,6 @@ Nadine Schneider, Matt Swain, Paolo Tosco, Alain Vaucher, Sam Webb,
- New descriptors: the QED descriptor has been added as have a large collection
of new 3D descriptors and implementations of the USR and USRCAT fingerprints.
## New Features and Enhancements:
- Bring back USR and USRCAT descriptors
(github pull #1417 from greglandrum)
@@ -156,7 +158,8 @@ Nadine Schneider, Matt Swain, Paolo Tosco, Alain Vaucher, Sam Webb,
(github issue #1550 from greglandrum)
- Fixes double free for Dict::update
(github pull #1571 from bp-kelley)
- QueryAtom::setQuery() should delete the old query first
(github pull #1604 from greglandrum)
# Release_2017.03.1