From 79bcc6575eb30c4fddcc77ffdc183f79d2d1cc0d Mon Sep 17 00:00:00 2001
From: gebele <gebele@in-silico.ch>
Date: Thu, 22 Sep 2016 10:29:10 +0000
Subject: added Ag

---
 application.rb | 52 ++++++++++++++++++++++++++++++----------------------
 1 file changed, 30 insertions(+), 22 deletions(-)

(limited to 'application.rb')

diff --git a/application.rb b/application.rb
index 98e502f..3ffc080 100644
--- a/application.rb
+++ b/application.rb
@@ -18,11 +18,13 @@ get '/predict/?' do
   prediction_models = OpenTox::Model::NanoPrediction.all
   prediction_models.each{|m| m.model[:feature_selection_algorithm_parameters]["category"] == "P-CHEM" ? @prediction_models[0] = m : @prediction_models[1] = m}
   @prediction_models.each_with_index{|m,idx| idx == 0 ? m[:pc_model] = true : m[:pcp_model] = true}
-  example = OpenTox::Nanoparticle.all.select{|n| n.core["name"] == "Au"}.sample
-  @example_pcp = example
-  example = OpenTox::Nanoparticle.all.select{|n| n.core["name"] == "Au"}.sample
-  example.physchem_descriptors.delete_if{|k,v| feature = OpenTox::Feature.find_by(:id => k); feature.category != "P-CHEM"}
-  @example_pc = example
+  nanoparticles = OpenTox::Nanoparticle.all.select{|n| n.core["name"] == "Au" || n.core["name"] == "Ag"}
+  example = nanoparticles.collect{|n| n if n.physchem_descriptors.size > 16}.compact
+  pcp = example.sample
+  @example_pcp = pcp
+  pc = example.sample
+  pc.physchem_descriptors.delete_if{|k,v| feature = OpenTox::Feature.find_by(:id => k); feature.category != "P-CHEM"}
+  @example_pc = pc
 
   haml :predict
 end
@@ -35,32 +37,38 @@ end
 post '/predict/?' do
   prediction_model = OpenTox::Model::NanoPrediction.find(params[:prediction_model])
   size = params[:size].to_i
+  @type = params[:type]
+
+  example_core = eval(params[:example_core])
+  example_coating = eval(params[:example_coating])
   example_pc = eval(params[:example_pc])
-  pc_descriptors = {}
-  (1..size).each{|i| pc_descriptors["#{params["input_key_#{i}"]}"] = [params["input_value_#{i}"].to_f]}
-  if example_pc == pc_descriptors 
+
+  in_core = eval(params[:in_core])
+  in_core["name"] = params[:input_core]
+  input_core = in_core
+
+  in_coating = eval(params[:in_coating])
+  in_coating[0]["name"] = params[:input_coating]
+  input_coating = in_coating
+
+  input_pc = {}
+  (1..size).each{|i| input_pc["#{params["input_key_#{i}"]}"] = [params["input_value_#{i}"].to_f]}
+  if input_pc == example_pc && input_core == example_core && input_coating == example_coating
     # unchanged input = database hit
     nanoparticle = OpenTox::Nanoparticle.find_by(:id => params[:example_id])
-    nanoparticle.physchem_descriptors = pc_descriptors
+    nanoparticle.physchem_descriptors = input_pc
+    @match = true,@nanoparticle = nanoparticle,@name = nanoparticle.name
   else
     # changed input = create nanoparticle to predict
     nanoparticle = OpenTox::Nanoparticle.new
-    nanoparticle.core = eval(params[:core])
-    nanoparticle.coating = eval(params[:coating])
-    nanoparticle.physchem_descriptors = pc_descriptors
+    nanoparticle.core = input_core
+    nanoparticle.coating = input_coating
+    nanoparticle.physchem_descriptors = input_pc
+    @match = false
   end
   # output
-  @input = pc_descriptors
+  @input = input_pc
   @prediction = prediction_model.model.predict_substance nanoparticle
-  @match = true,@nanoparticle = nanoparticle,@name = nanoparticle.name if @prediction[:warning] =~ /identical/
-  #@prediction[:neighbors].each do |n|
-    #puts n
-    #puts nano = OpenTox::Nanoparticle.find(n["_id"])
-    #puts nano.name
-    #puts n["similarity"]
-    #puts n["measurements"]
-    #puts nano.physchem_descriptors.delete_if{|k,v| feature = OpenTox::Feature.find_by(:id => k); feature.category != "P-CHEM"}.size
-  #end
 
   haml :prediction
 end
-- 
cgit v1.2.3