#!/usr/bin/env ruby require_relative "../lib/lazar" model = ClassificationModel.new ARGV[0] model.predict_file ARGV[1] =begin File.read(ARGV[1]).each_line do |line| if line.match(/Name/i) file_descriptors = line.chomp.split(";") model_descriptors = File.read(File.join(ARGV[0],"independent_variable_names")).chomp.split(",").collect{|d| d.gsub('"','')} common_descriptors = model_descriptors & file_descriptors puts "ID,SMILES,experimental,classification,probability(0),probability(1),max_similarity,nr_neighbors" else descriptor_values = [] line.chomp.split(",") descriptor_values.shift puts ([id] + model.predict_smiles(smi)).join(",") end end =end