#651 Smiles test fails. Create a test for each

cdk-1.0.x
open
None
5
2015-01-01
2008-05-14
No

Smiles parsing is failing for some structures extracted from Nist database. It needs to be added a uni test for each one. The List below correspond the CAS number of them.

11105901
114025126
114055402
126223538
126223549
126223550
126223561
132161
13569385
14055028
147148
16872096
16872109
16986246
188738
190090
190227
190249
20644126
20740050
20740061
214777
23835316
23835383
23940161
24386069
3317677
34814807
34814829
41163251
56464756
57468458
57468469
57483713
62662491
70312253
70346757
75482336
75482369
99685968

Discussion

  • John May
    John May
    2015-01-01

    • Group: --> cdk-1.0.x
     
  • John May
    John May
    2015-01-01

    I'm willing to bet these are all fixed now - do we have the database to check?