diff options
Diffstat (limited to 'test.rb')
-rw-r--r-- | test.rb | 51 |
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 |