kazius-alerts 0.0.1 → 0.0.2

checksums.yaml

@@ -1,7 +1,7 @@
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data/kazius-alerts.gemspec

@@ -1,6 +1,6 @@
 Gem::Specification.new do |s|
   s.name        = "kazius-alerts"
-  s.version     = "0.0.1"
+  s.version     = "0.0.2"
   s.authors     = ["Christoph Helma"]
   s.email       = ["helma@in-silico.ch"]
   s.homepage    = "http://github.com/opentox/kazius-alerts"

data/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) }
 

metadata

@@ -1,7 +1,7 @@
 --- !ruby/object:Gem::Specification
 name: kazius-alerts
 version: !ruby/object:Gem::Version
-  version: 0.0.1
+  version: 0.0.2
 platform: ruby
 authors:
 - Christoph Helma