Greg Landrum 96adbc11ea remove the deprecated assign{Atom,Bond}ChiralCodes functions

2009-08-02 15:33:08 +00:00

..

Catalogs

remove a bunch of compiler warnings

2008-05-26 20:05:57 +00:00

ChemicalFeatures

revs979 and 980 should not have been on the trunk. They belong on the easy_install branch.

2009-02-04 20:39:35 +00:00

DataManip/MetricMatrixCalc

remove vflib from Jamfiles

2009-06-29 11:47:38 +00:00

DataStructs

remove vflib from Jamfiles

2009-06-29 11:47:38 +00:00

Demos

to have this backed up

2009-08-01 10:44:01 +00:00

DistGeom

get the embedding more robust in crowded chiral molecules

2009-04-20 16:37:59 +00:00

Features

now all tests pass here as well

2009-02-03 05:26:10 +00:00

ForceField

revs979 and 980 should not have been on the trunk. They belong on the easy_install branch.

2009-02-04 20:39:35 +00:00

Geometry

revs979 and 980 should not have been on the trunk. They belong on the easy_install branch.

2009-02-04 20:39:35 +00:00

GraphMol

remove the deprecated assign{Atom,Bond}ChiralCodes functions

2009-08-02 15:33:08 +00:00

ML

revs979 and 980 should not have been on the trunk. They belong on the easy_install branch.

2009-02-04 20:39:35 +00:00

Numerics

revs979 and 980 should not have been on the trunk. They belong on the easy_install branch.

2009-02-04 20:39:35 +00:00

PgSQL/RDLib

remove the function DaylightFingerprintMol()

2009-07-02 04:32:36 +00:00

Query

now all tests pass here as well

2009-02-03 05:26:10 +00:00

RDBoost

possible implementation of sf.net 2738020

2009-04-06 16:54:21 +00:00

RDGeneral

fix a compile problem on windows

2009-05-14 04:27:59 +00:00

SimDivPickers

revs979 and 980 should not have been on the trunk. They belong on the easy_install branch.

2009-02-04 20:39:35 +00:00

CompleteJamroot.py

merge revs958:996 from EasyInstall branch

2009-02-25 06:12:43 +00:00

doxygen.config

(re)organize some of the documentation

2008-07-14 03:53:20 +00:00

Jamroot

remove vflib from Jamfiles

2009-06-29 11:47:38 +00:00

Jamroot.in

remove vflib from Jamfiles

2009-06-29 11:47:38 +00:00

notes.txt

initial import

2006-05-06 22:20:08 +00:00

test_list.py

now all tests pass here as well

2009-02-03 05:26:10 +00:00