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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}
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
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
@type = params[:type]
example_core = eval(params[:example_core])
example_coating = eval(params[:example_coating])
example_pc = eval(params[:example_pc])
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 = input_pc
@match = true,@nanoparticle = nanoparticle,@name = nanoparticle.name
else
# changed input = create nanoparticle to predict
nanoparticle = OpenTox::Nanoparticle.new
nanoparticle.core = input_core
nanoparticle.coating = input_coating
nanoparticle.physchem_descriptors = input_pc
@match = false
end
# output
@input = input_pc
@prediction = prediction_model.model.predict_substance nanoparticle
haml :prediction
end
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