diff options
| author | Christoph Helma <helma@in-silico.ch> | 2016-05-07 10:34:03 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-05-07 10:34:03 +0200 |
| commit | 48234554ea99b972a01718ac36c4e8332dd9159b (patch) | |
| tree | 6f9d61a7b1c767a952063f69ed11449361395a05 /test/compound.rb | |
| parent | 51f57e2858b60bed74ebcc97189b2188c900c283 (diff) | |
-log10 for regression datasets, test cleanups
Diffstat (limited to 'test/compound.rb')
| -rw-r--r-- | test/compound.rb | 8 |
1 files changed, 4 insertions, 4 deletions
diff --git a/test/compound.rb b/test/compound.rb index 7342310..29d97a9 100644 --- a/test/compound.rb +++ b/test/compound.rb @@ -80,7 +80,7 @@ print c.sdf end def test_neighbors - d = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.csv") + d = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM_log10.csv") d.compounds.each do |c| refute_nil c.fingerprint("MP2D") end @@ -110,7 +110,7 @@ print c.sdf def test_fingerprint_neighbors types = ["FP2", "FP3", "FP4", "MACCS"] min_sim = 0.7 - training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.csv") + training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM_log10.csv") [ "CC(=O)CC(C)C#N", "CC(=O)CC(C)C", @@ -141,7 +141,7 @@ print c.sdf def test_fingerprint_count_neighbors types = ["MP2D", "MNA"] min_sim = 0.0 - training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.csv") + training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM_log10.csv") [ "CC(=O)CC(C)C#N", "CC(=O)CC(C)C", @@ -162,7 +162,7 @@ print c.sdf def test_fingerprint_db_neighbors #skip - training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.csv") + training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM_log10.csv") [ "CC(=O)CC(C)C#N", "CC(=O)CC(C)C", |