summaryrefslogtreecommitdiff
path: root/lib/model.rb
diff options
context:
space:
mode:
authorChristoph Helma <helma@in-silico.ch>2016-11-10 12:23:46 +0100
committerChristoph Helma <helma@in-silico.ch>2016-11-10 12:23:46 +0100
commit9e7b36613e98601de7b2ceb2d4442e11f1ae868a (patch)
treecbb3148fb82e451505d4d864bb4547b5c2c3b33d /lib/model.rb
parenta90047977da5a635072f2833816726eaf721aa88 (diff)
intermediate commit, may be defunct
Diffstat (limited to 'lib/model.rb')
-rw-r--r--lib/model.rb11
1 files changed, 7 insertions, 4 deletions
diff --git a/lib/model.rb b/lib/model.rb
index 7503215..6a5e614 100644
--- a/lib/model.rb
+++ b/lib/model.rb
@@ -81,7 +81,6 @@ module OpenTox
:method => "properties",
:categories => ["P-CHEM"],
},
- #:descriptors => ["P-CHEM","Proteomics"],
:similarity => {
:method => "Algorithm::Similarity.weighted_cosine",
:min => 0.5
@@ -140,10 +139,11 @@ module OpenTox
model.algorithms[:descriptors].delete(:features)
model.algorithms[:descriptors].delete(:type)
model.substances.each_with_index do |s,i|
- s.calculate_properties(features).each_with_index do |v,j|
+ props = s.calculate_properties(features)
+ props.each_with_index do |v,j|
model.independent_variables[j] ||= []
model.independent_variables[j][i] = v
- end
+ end if props and !props.empty?
end
# parse independent_variables
when "properties"
@@ -152,7 +152,10 @@ module OpenTox
categories.each do |category|
Feature.where(category:category).each{|f| feature_ids << f.id.to_s}
end
- properties = model.substances.collect { |s| s.properties }
+ #p feature_ids
+ #properties = Nanoparticle.all.collect { |s| p s.name; p s.id; p s.properties }
+ properties = model.substances.collect { |s| s.properties }
+ #p properties
property_ids = properties.collect{|p| p.keys}.flatten.uniq
model.descriptor_ids = feature_ids & property_ids
model.independent_variables = model.descriptor_ids.collect{|i| properties.collect{|p| p[i] ? p[i].median : nil}}