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-rw-r--r--test.rb51
1 files changed, 0 insertions, 51 deletions
diff --git a/test.rb b/test.rb
deleted file mode 100644
index bd15dcd..0000000
--- a/test.rb
+++ /dev/null
@@ -1,51 +0,0 @@
-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