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require 'sinatra'
require "sinatra/reloader"
require "haml"
require 'yaml'
require "./pubchem.rb"
also_reload './pubchem.rb'
get '/?' do
=begin
@compound = PubChem::Compound.new
smiles = "OC(=O)C1=C(C=CC=C1)OC(=O)C"
#smiles = "c1cc(CC)ccc1"
#smiles = "CC(=O)Nc1ccc(O)cc1"
smiles = "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O"
#@compound.from_smiles smiles
@compound.get_neighbors smiles
File.open("compound.yaml","w+"){|f| f.puts @compound.to_yaml}
=end
@compound = YAML.load_file "compound.yaml"
haml :index
end
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