Greg Landrum 023f7b4f0f Merge changes from the iterative chirality branch: ...

https://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/IterativeChirality_20Aug2008
into the trunk.
This covers revs 798-828.

Dependent chirality should now be correctly handled, but the
handling of ring stereochemistry, i.e. things like:
C[C@H]1CC[C@H](C)CC1
is still not 100% correct.

2008-09-19 09:40:15 +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

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

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