Greg Landrum db89172bf8 handle the heavy-atom degree queries differently (#1560) ...

* handle the heavy-atom degree queries differently

* Fixes #1563

* add a test for the heavy atom degree option

* Support (and test) adjustHeavyDegree in the cartridge too.

* test results

2017-09-12 16:10:15 -04:00

..

avalon.out

initial pass at adding avalon fps to cartridge. needs more testing

2014-08-16 06:31:01 +02:00

bfpgin.out

refactoring of the postgresql cartridge (#992)

2016-08-01 07:30:03 +02:00

bfpgist-91.out

add tests for indexing on maccs

2014-05-09 18:17:27 +02:00

btree.out

adjust cartridge tests after the fix for #874 (#884)

2016-04-25 14:19:01 -04:00

fpgist.out

initial import

2010-07-02 06:57:26 +00:00

fps.out

Fixes: #259

2014-05-09 12:39:21 +02:00

inchi.out

support providing InChI (or InChI key) generation options in cartridge

2016-02-06 05:50:23 +01:00

molgist.out

Fixes #525

2015-10-28 06:01:46 +01:00

props.out

Provide SVG output from the cartridge (#1109)

2016-10-21 17:05:59 -04:00

rdkit-91.out

handle the heavy-atom degree queries differently (#1560)

2017-09-12 16:10:15 -04:00

reaction.out

Fix #1496 (#1517)

2017-08-15 13:00:30 -04:00

sfpgist.out

initial import

2010-07-02 06:57:26 +00:00

slfpgist.out

refactoring of the postgresql cartridge (#992)

2016-08-01 07:30:03 +02:00