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author | Christoph Helma <helma@in-silico.ch> | 2017-09-12 15:56:27 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2017-09-12 15:56:27 +0200 |
commit | 97521d595b141d2669f301e3a6d94eb6a417b03c (patch) | |
tree | 1f3ce51a73fbd46164fc527cb13c18eb758fed33 | |
parent | 867e5a116f23203d7fbec24ca47191a267b1e0cb (diff) |
paste error fixed
-rw-r--r-- | lib/kazius-alerts.rb | 3 |
1 files changed, 2 insertions, 1 deletions
diff --git a/lib/kazius-alerts.rb b/lib/kazius-alerts.rb index 2068b34..fae179f 100644 --- a/lib/kazius-alerts.rb +++ b/lib/kazius-alerts.rb @@ -1,4 +1,4 @@ -re 'openbabel' +require 'openbabel' class KaziusAlerts @@ -70,6 +70,7 @@ X2,X3]2~[X2,X3]1~[X2,X3]~[X2,X3]~[X2,X3]3~[X2,X3]2~[X2,X3]~[X2,X3]~[X2,X3]3),$([ smarts_pattern.init sma[1] matches << sma if smarts_pattern.match(mol) end + end matches.each { |m| error_product *= error(m) } |