initial commit

1 files changed, 21 insertions, 0 deletions

diff --git a/application.rb b/application.rb
new file mode 100644
index 0000000..09f3188
--- /dev/null
+++ b/application.rb
@@ -0,0 +1,21 @@
+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