User da00f5c453
15-10-2009 19:38:04
Hi all,
There seems to be an error when using ringSystem() chemical term, for example:
evaluate -e "ringSystems()" "c1ccc2c(cccc2c1)-c1cccc2ccccc12"
returns [0;1][2;3] which seems to be correct there are two ring systems each with 2 rings
while the following expression:
evaluate -e "ringSystems()" "C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6cc7ccccc7n6cc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C"
returns: [] which in my opinion is not correct, there is one ring system in the molecule with 7 rings in it and the result should probably be: [0;1;2;3;4;5;6]
JChem version
Evaluator, (C) 1999-2009 ChemAxon Ltd.
version 5.2.5.1
with Java 1.6.0_15 on openSuSE 10.3
Oleg.