paste error fixed
authorChristoph Helma <helma@in-silico.ch>
Tue, 12 Sep 2017 13:56:27 +0000 (15:56 +0200)
committerChristoph Helma <helma@in-silico.ch>
Tue, 12 Sep 2017 13:56:27 +0000 (15:56 +0200)
lib/kazius-alerts.rb

index 2068b3434e2d9ce4d882b63f9b9ef92c6b637501..fae179f81a7af702ab528fa1fd805a42c48a90b8 100644 (file)
@@ -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) }