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-rw-r--r--test/compound.rb8
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",