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author | Christoph Helma <helma@in-silico.ch> | 2016-03-14 15:25:50 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-03-14 15:25:50 +0100 |
commit | 0c5d2e678908a2d4aea43efbedbedc2c0439be30 (patch) | |
tree | 2a056c6edc088a37b7e489de435706af79f324e7 /lib/physchem.rb | |
parent | 989f20ae58c3ecb0ce62bc4468c3dab2599637b3 (diff) |
descriptor tests
Diffstat (limited to 'lib/physchem.rb')
-rw-r--r-- | lib/physchem.rb | 4 |
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" |