From d420e64b3869130bc8526ff2659da6fd35bc6548 Mon Sep 17 00:00:00 2001
From: gebele <gebele@in-silico.ch>
Date: Tue, 20 Sep 2016 15:18:10 +0000
Subject: changed for two model selection

---
 application.rb | 54 ++++++++++++++++++++++++++++++++++++++++++------------
 1 file changed, 42 insertions(+), 12 deletions(-)

(limited to 'application.rb')

diff --git a/application.rb b/application.rb
index 1f7fa00..98e502f 100644
--- a/application.rb
+++ b/application.rb
@@ -1,23 +1,29 @@
-require 'json'
 require 'rdiscount'
-require_relative './nanoparticles.rb'
-
 $ambit_search = "http://data.enanomapper.net/substance?type=name&search="
 
 configure :development do
   $logger = Logger.new(STDOUT)
 end
 
+before do
+  @version = File.read("VERSION").chomp
+end
+
 get '/?' do
   redirect to('/predict') 
 end
 
 get '/predict/?' do
-  @version = File.read("VERSION").chomp
-  data = JSON.parse(File.read("./data.json"))
-  query_features = JSON.parse(File.read("./query-features.json"))
-  @example = data[data.keys.sample]["physchem"].select{|f,v| query_features.include? f}
-  #@json_example = JSON.pretty_generate(@example)
+  @prediction_models = []
+  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
+
   haml :predict
 end
 
@@ -27,10 +33,34 @@ get '/license' do
 end
 
 post '/predict/?' do
+  prediction_model = OpenTox::Model::NanoPrediction.find(params[:prediction_model])
   size = params[:size].to_i
-  @input = []
-  (1..size).each{|i| @input << [params["input_key_#{i}"], params["input_value_#{i}"].to_f]}
-  @params = Hash[*@input.flatten]
-  @prediction = predict @params
+  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 
+    # unchanged input = database hit
+    nanoparticle = OpenTox::Nanoparticle.find_by(:id => params[:example_id])
+    nanoparticle.physchem_descriptors = pc_descriptors
+  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
+  end
+  # output
+  @input = pc_descriptors
+  @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
-- 
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