blob: 1016220a93fe95ecfcb255a0848b2031a81cb426 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
|
require 'rubygems'
require 'compass' #must be loaded before sinatra
require 'sinatra'
require 'haml' #must be loaded after sinatra
require 'opentox-client'
require 'opentox-server'
require File.join(File.dirname(__FILE__),'helper.rb')
require File.join(ENV["HOME"],".opentox","config","lazar-gui.rb")
get '/?' do
redirect to('/predict')
end
get '/predict/?' do
@models = OpenTox::Model.all $model[:uri]
haml :predict
end
post '/predict/?' do
# transferred input
@identifier = params[:identifier]
# get input as compound
@compound = OpenTox::Compound.from_smiles $compound[:uri], @identifier.to_s
# init
@prediction_models = []
@predictions = []
# init lazar algorithm
lazar = OpenTox::Algorithm.new File.join($algorithm[:uri],"lazar")
# gather models from service and compare if selected
params[:selection].each do |model|
$logger.debug "selection: #{model[0]}"
@mselected = model[0]
@mall = OpenTox::Model.all $model[:uri]
@mall.each do |m|
m.get
$logger.debug "m.title: #{m.title}; m.uri: #{m.uri}\n"
@prediction_models << m if m.title =~ /#{@mselected}/
end
$logger.debug "@prediction_models: #{@prediction_models.inspect}"
end
# predict with selected models
# predictions in @predictions variable
$logger.debug "@models: #{@models.inspect}"
@prediction_models.each do |m|
@prediction_uri = m.run :compound_uri => "#{@compound.uri}"
prediction = OpenTox::Dataset.new @prediction_uri
@predictions << prediction
end
@prediction_values = []
@prediction_compound = []
@prediction_neighbours_values = []
@prediction_neighbours_compounds = []
@predictions.each do |p|
# get object
p.get
# first data_entries are prediction values
@prediction_values << p.data_entries[0]
# get prediction compound as object
$logger.debug "prediction.compound: #{p.compounds.inspect}"
$logger.debug "prediction.compound: #{p.compounds[0].inspect}"
@prediction_compound << p.compounds[0]
# delete first data_entries from array
p.data_entries.shift
# delete first compound from array
p.compounds.shift
# following data_entries are neighbours
@prediction_neighbours_values << p.data_entries
# get neighbour compounds as object
p.compounds.each{|c| @prediction_neighbours_compounds << c}
end
haml :prediction
end
get '/stylesheets/:name.css' do
content_type 'text/css', :charset => 'utf-8'
sass(:"stylesheets/#{params[:name]}", Compass.sass_engine_options )
end
|
