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-rw-r--r--test/data/batch_prediction.csv25
-rw-r--r--test/dataset.rb13
2 files changed, 37 insertions, 1 deletions
diff --git a/test/data/batch_prediction.csv b/test/data/batch_prediction.csv
new file mode 100644
index 0000000..c9c45e1
--- /dev/null
+++ b/test/data/batch_prediction.csv
@@ -0,0 +1,25 @@
+SMILES, batch
+CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C=C1
+OCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)OCCCCO
+C1([N+](=O)[O-])=CC=C(C)C=C1OP(=O)(OC2=C([N+](=O)[O-])C=CC(C)=C2)OC3=C([N+]([O-])=O)C=CC(C)=C3
+C1=C([N+]([O-])=O)C=CC=C1P(=O)(C2=CC([N+](=O)[O-])=CC=C2)C3=CC([N+](=O)[O-])=CC=C3
+O=C1NC(=O)NC=C1
+O=C2C1=NC3=C(C=C(C)C(C)=C3)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(N2)=O
+O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3
+CCC1=C(Br)C(Br)=C(Br)C(Br)=C1Br
+C1CCCCC1C2CCCCC2
+C1=CC(C)=CC=C1SSC2=CC=C(C)C=C2
+CCCCCCCCCCCCCO
+O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC
+CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
+CCCCCCCCCCCCCC=O
+OCCCCCCCC\C=C/CCCCCCCC
+CCCCCCC(=O)CCCCCC
+N1=C(C2=CC=CC=C2)NC(C3=CC=CC=C3)=C1C4=CC=CC=C4
+C1=CC=CC=C1[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
+C1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3
+IC1=CC=C(I)C=C1
+C1=CC(N(C)C)=CC=C1P(=O)(C2=CC=C(N(C)C)C=C2)C3=CC=C(N(C)C)C=C3
+C1=CC=CC=C1C2=CC=C(C3=CC=CC=C3)O2
+CCCCCCCCCCCC(=O)N
+N1=C(CCN)C=CC=C1
diff --git a/test/dataset.rb b/test/dataset.rb
index 26ff219..d30a898 100644
--- a/test/dataset.rb
+++ b/test/dataset.rb
@@ -11,7 +11,18 @@ class DatasetTest < MiniTest::Test
assert_equal Dataset, datasets.first.class
d1.delete
end
-
+=begin
+ #TODO
+ def test_create_without_features_csv
+ d = Dataset.from_csv_file File.join(DATA_DIR,"batch_prediction.csv")
+ assert_equal Dataset, d.class
+ refute_nil d.id
+ dataset = Dataset.find d.id
+ #p dataset.compounds
+ assert_equal 24, d.compounds.size.to_i
+ d.delete
+ end
+=end
def test_create_empty
d = Dataset.new
assert_equal Dataset, d.class