blob: 2a770137df4de7ff9a45c6216f2f2c96ec3b5d0a (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
|
require 'sinatra'
require "sinatra/reloader"
require "haml"
require 'yaml'
require "./pubchem.rb"
also_reload './pubchem.rb'
get '/?' do
#@neighbors = OpenTox::PubChemNeighbors.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
#@neighbors.from_smiles smiles
=begin
File.open("compound.yaml","w+"){|f| f.puts @compound.to_yaml}
@compound = YAML.load_file "compound.yaml"
=end
@neighbors = YAML.load_file "search.yaml"
haml :index
end
|
