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authorChristoph Helma <helma@in-silico.ch>2016-03-14 15:25:50 +0100
committerChristoph Helma <helma@in-silico.ch>2016-03-14 15:25:50 +0100
commit0c5d2e678908a2d4aea43efbedbedc2c0439be30 (patch)
tree2a056c6edc088a37b7e489de435706af79f324e7 /lib/physchem.rb
parent989f20ae58c3ecb0ce62bc4468c3dab2599637b3 (diff)
descriptor tests
Diffstat (limited to 'lib/physchem.rb')
-rw-r--r--lib/physchem.rb4
1 files changed, 4 insertions, 0 deletions
diff --git a/lib/physchem.rb b/lib/physchem.rb
index 64018ad..067cd59 100644
--- a/lib/physchem.rb
+++ b/lib/physchem.rb
@@ -37,6 +37,10 @@ module OpenTox
DESCRIPTORS = OBDESCRIPTORS.merge(CDKDESCRIPTORS.merge(JOELIBDESCRIPTORS))
+ DESCRIPTORS.each do |name,description|
+ lib,desc = name.split('.',2)
+ self.find_or_create_by(:name => name, :library => lib, :descriptor => desc, :description => description, :measured => false, :calculated => true, :numeric => true, :nominal => false)
+ end
require_relative "unique_descriptors.rb"