Greg Landrum d63f44cc0c Add cartridge support for adjustQueryProperties() (#949) ...

* backup commit

* Change the names and meanings of MolOps::AdjustQueryWhichFlags
What was there before was not flexible enough and was extremely confusing. This should clear that up.

NOTE: this does break backwards compatibility with code that uses this enum, but given that this is new and has not been
widely promoted, I suspect it should not affect that many people. The default behavior of MolOps::adjustQueryProperties()
remains the same.

* adjust to the new AdjustQueryWhichFlags

* add mol_adjust_query_properties tests to the cartridge

2016-06-21 14:38:32 -04:00

..

avalon.sql

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

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

bfpgist-91.sql

add tests for indexing on maccs

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

btree.sql

fix problem in the new is_smiles_valid()

2010-12-11 16:13:27 +00:00

fpgist.sql

initial import

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

fps.sql

Fixes: #259

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

inchi.sql

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

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

molgist.sql

Fixes #525

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

props.sql

support new descrs in cartridge

2015-09-21 16:31:36 +02:00

rdkit-91.sql

Add cartridge support for adjustQueryProperties() (#949)

2016-06-21 14:38:32 -04:00

reaction.sql

- added a PGDLLEXPORT to _PG_init(void) to avoid "unrecognized

2016-03-31 22:04:42 +01:00

sfpgist.sql

initial import

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

slfpgist.sql

initial import

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