diff options
Diffstat (limited to 'lib/physchem.rb')
| -rw-r--r-- | lib/physchem.rb | 8 |
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 |