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require 'rdiscount'
$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
@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
get '/license' do
@license = RDiscount.new(File.read("LICENSE.md")).to_html
haml :license, :layout => false
end
post '/predict/?' do
prediction_model = OpenTox::Model::NanoPrediction.find(params[:prediction_model])
size = params[:size].to_i
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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