From ab7b37541b4f8a762be737009631d3eefd898b4a Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 5 May 2016 16:14:02 +0200 Subject: ambit mirror, import from mirrored json, proteomics import --- lib/regression.rb | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) (limited to 'lib/regression.rb') diff --git a/lib/regression.rb b/lib/regression.rb index d2c4e91..fe45f99 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_descriptors.keys}.flatten.uniq + pc_ids = neighbors.collect{|n| Substance.find(n["_id"]).physchem.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_descriptors.each do |pid,values| + neighbor.physchem.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_descriptors[i] ? compound.physchem_descriptors[i].for_R : "NA" + compound.physchem[i] ? compound.physchem_descriptors[i].for_R : "NA" end remove_idx = [] query_descriptors.each_with_index do |v,i| -- cgit v1.2.3