Greg Landrum c0e1ffdc65 fix and test Issue2313979

2008-12-02 08:50:51 +00:00

..

canonSmiles.long.smi

initial import

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

canonSmiles.past_problems.smi

initial import

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

canonSmiles.smi

initial import

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

canonSmiles.v1.pkl

initial import

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

canonSmiles.v2.pkl

initial import

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

chi3d_r1_bad.mol

add getTotalDegree() method to Atom; support generating stereochem information from 3D coords

2008-05-26 14:54:35 +00:00

chi3d_r1.mol

add getTotalDegree() method to Atom; support generating stereochem information from 3D coords

2008-05-26 14:54:35 +00:00

chi3d_r2.mol

add getTotalDegree() method to Atom; support generating stereochem information from 3D coords

2008-05-26 14:54:35 +00:00

chi3d_s1.mol

add getTotalDegree() method to Atom; support generating stereochem information from 3D coords

2008-05-26 14:54:35 +00:00

chi3d_s2.mol

add getTotalDegree() method to Atom; support generating stereochem information from 3D coords

2008-05-26 14:54:35 +00:00

dummyArom.mol

fixes to issues 2196817 and 2208994

2008-10-30 06:56:39 +00:00

iChi1a.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi1b.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi1c.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi1d.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi1e.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi2a.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi2b.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi2c.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi2d.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi2e.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi3a.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi3b.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi3c.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi4a.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi4b.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi4c.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

iChi4d.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

Issue2313979.sdf

fix and test Issue2313979

2008-12-02 08:50:51 +00:00

Issue2316677.mol

fix and test issue 2316677; there probably should be a hand-crafted test for this as well, but that is going to be tricky

2008-11-20 05:55:46 +00:00

perchlorate1.mol

initial import

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

stereoOrder1.mol

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00