1 files changed, 51 insertions, 0 deletions
diff --git a/test.rb b/test.rb
new file mode 100644
index 0000000..bd15dcd
--- /dev/null
+++ b/test.rb
@@ -0,0 +1,51 @@
+require 'test/unit'
+#require 'yaml'
+require './pubchem.rb'
+
+class MRATest < Test::Unit::TestCase
+
+  def setup
+    #@p = PubChem::Compound.new "c1cc(CC)ccc1"
+    @p = PubChem::Compound.new
+    @p.from_smiles "CC(=O)Nc1ccc(O)cc1"
+  end
+
+  def test_initialize
+    puts @p.active_assays.size
+    puts @p.inactive_assays.size
+    puts @p.targets.size
+    puts @p.non_targets.size
+    assert_equal "7500", @p.cid
+    #assert_equal true, @p.aids[:active].include?(1188)
+    #assert_equal true, @p.aids[:inactive].include?(435)
+  end
+
+  def test_similarity_search
+    #puts @p.to_smiles
+    @p.neighbors.each do |n|
+      #puts n.to_smiles
+      puts @p.target_similarity(n)
+    end
+    #puts @p.neighbors.inspect
+    #assert_equal 100, @p.neighbor_cids.size
+  end
+
+  def test_assay_description
+    puts @p.assay_description.to_yaml
+  end
+
+  def test_assay_genes
+    puts @p.assay_genes.to_yaml
+  end
+
+  def test_assay_similarity
+    @p2 = PubChem::Compound.new "OC(=O)C1=C(C=CC=C1)OC(=O)C"
+    puts @p.assay_similarity(@p2)
+  end
+
+  def test_target_similarity
+    @p2 = PubChem::Compound.new "OC(=O)C1=C(C=CC=C1)OC(=O)C"
+    puts @p.target_similarity(@p2)
+  end
+
+end