diff options
| author | Christoph Helma <helma@in-silico.ch> | 2016-05-05 16:14:02 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-05-05 16:14:02 +0200 |
| commit | ab7b37541b4f8a762be737009631d3eefd898b4a (patch) | |
| tree | e3c1d1fcc39ce58d151b498e810c5631931486a1 /lib/regression.rb | |
| parent | 05386e748270c337c66f6f379317ea4b25905236 (diff) | |
ambit mirror, import from mirrored json, proteomics import
Diffstat (limited to 'lib/regression.rb')
| -rw-r--r-- | lib/regression.rb | 6 |
1 files changed, 3 insertions, 3 deletions
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| |