summaryrefslogtreecommitdiff
path: root/lib/regression.rb
diff options
context:
space:
mode:
authorChristoph Helma <helma@in-silico.ch>2016-05-06 12:49:28 +0200
committerChristoph Helma <helma@in-silico.ch>2016-05-06 12:49:28 +0200
commit51f57e2858b60bed74ebcc97189b2188c900c283 (patch)
treea3be50b410e45fad3f33e956bb302c66e0370226 /lib/regression.rb
parentab7b37541b4f8a762be737009631d3eefd898b4a (diff)
dataset tests cleanup
Diffstat (limited to 'lib/regression.rb')
-rw-r--r--lib/regression.rb6
1 files changed, 3 insertions, 3 deletions
diff --git a/lib/regression.rb b/lib/regression.rb
index fe45f99..d2c4e91 100644
--- a/lib/regression.rb
+++ b/lib/regression.rb
@@ -84,7 +84,7 @@ module OpenTox
activities = []
weights = []
- pc_ids = neighbors.collect{|n| Substance.find(n["_id"]).physchem.keys}.flatten.uniq
+ pc_ids = neighbors.collect{|n| Substance.find(n["_id"]).physchem_descriptors.keys}.flatten.uniq
data_frame = []
data_frame[0] = []
@@ -93,7 +93,7 @@ module OpenTox
n["toxicities"][params[:prediction_feature_id].to_s].each do |act|
data_frame[0][i] = act
n["tanimoto"] ? weights << n["tanimoto"] : weights << 1.0 # TODO cosine ?
- neighbor.physchem.each do |pid,values|
+ neighbor.physchem_descriptors.each do |pid,values|
values.uniq!
warn "More than one value for '#{Feature.find(pid).name}': #{values.join(', ')}. Using the median." unless values.size == 1
j = pc_ids.index(pid)+1
@@ -121,7 +121,7 @@ module OpenTox
return result
else
query_descriptors = pc_ids.collect do |i|
- compound.physchem[i] ? compound.physchem_descriptors[i].for_R : "NA"
+ compound.physchem_descriptors[i] ? compound.physchem_descriptors[i].for_R : "NA"
end
remove_idx = []
query_descriptors.each_with_index do |v,i|