Merge pull request deepchem#1104 from abster12/master

Splitter Tutorial
Quantumgame · Feb 21, 2018 · 560ea1b · 560ea1b
2 parents 8174ab6 + 9fcb688
commit 560ea1b
Show file tree

Hide file tree

Showing 3 changed files with 554 additions and 1 deletion.
diff --git a/deepchem/splits/splitters.py b/deepchem/splits/splitters.py
@@ -753,7 +753,7 @@ def split(self,
       self.valid_indices = []
     if self.test_indices is None:
       self.test_indices = []
-    valid_test = self.valid_indices
+    valid_test = list(self.valid_indices)
     valid_test.extend(self.test_indices)
     for indice in indices:
       if not indice in valid_test:

diff --git a/deepchem/splits/tests/test_splitter.py b/deepchem/splits/tests/test_splitter.py
@@ -504,6 +504,18 @@ def test_stratified_multitask_split(self):
       # that have no hits.
       assert len(np.where(~w.any(axis=1))[0]) == 0
 
+  def test_indice_split(self):
+
+    solubility_dataset = dc.data.tests.load_solubility_data()
+    random_splitter = dc.splits.IndiceSplitter(
+        valid_indices=[7], test_indices=[8])
+    train_data, valid_data, test_data = \
+      random_splitter.split(
+        solubility_dataset)
+    assert len(train_data) == 8
+    assert len(valid_data) == 1
+    assert len(test_data) == 1
+
 
 if __name__ == "__main__":
   import nose