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authorChristoph Helma <helma@in-silico.ch>2019-08-24 15:06:53 +0200
committerChristoph Helma <helma@in-silico.ch>2019-08-24 15:06:53 +0200
commit8e1e8b94539dbdd74bd4ac28295cbfd1b84036ab (patch)
tree28528e19dc6ed4cca7ed824e939dedd6c4acc94c /lib/physchem.rb
parent1ee7de09c969e16fd11522d22179224e694b0161 (diff)
parent488ce9fe6d4b715680675861105b8c52a7535140 (diff)
Merge remote-tracking branch 'origin/development'
Diffstat (limited to 'lib/physchem.rb')
-rw-r--r--lib/physchem.rb8
1 files changed, 4 insertions, 4 deletions
diff --git a/lib/physchem.rb b/lib/physchem.rb
index 07df867..2af043b 100644
--- a/lib/physchem.rb
+++ b/lib/physchem.rb
@@ -1,7 +1,7 @@
module OpenTox
# Feature for physico-chemical descriptors
- class PhysChem < NumericFeature
+ class PhysChem < NumericSubstanceProperty
field :library, type: String
field :descriptor, type: String
@@ -45,7 +45,7 @@ module OpenTox
def self.descriptors desc=DESCRIPTORS
desc.collect 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)
+ self.find_or_create_by(:name => name, :library => lib, :descriptor => desc, :description => description)
end
end
@@ -59,11 +59,11 @@ module OpenTox
CDK_DESCRIPTIONS.select{|d| desc == d[:java_class].split('.').last.sub('Descriptor','') }.first[:names].each do |n|
dname = "#{name}.#{n}"
description = DESCRIPTORS[dname]
- udesc << self.find_or_create_by(:name => dname, :library => lib, :descriptor => desc, :description => description, :measured => false, :calculated => true)
+ udesc << self.find_or_create_by(:name => dname, :library => lib, :descriptor => desc, :description => description)
end
else
description = DESCRIPTORS[name]
- udesc << self.find_or_create_by(:name => name, :library => lib, :descriptor => desc, :description => description, :measured => false, :calculated => true)
+ udesc << self.find_or_create_by(:name => name, :library => lib, :descriptor => desc, :description => description)
end
end
udesc