Revert "remove one-encoding for binary target"

This reverts commit 8ac69b6.

src/graphpro/annotations.py

@@ -12,7 +12,7 @@ class NodeTargetBinaryAttribute(NodeTarget):
     """
     def encode(self, G: Graph) -> torch.Tensor:
         present = [self.attr_name in G.node_attr(n) for n in G.nodes()]
-        return torch.tensor([present], dtype=torch.int64).to(torch.float).T
+        return F.one_hot(torch.tensor(present, dtype=torch.int64), num_classes=2).to(torch.float)
 
 
 class NodeAnnotation():
@@ -76,4 +76,4 @@ def generate(self, G: Graph, atom_group: AtomGroup):
 
     def encode(self, G: Graph) -> torch.tensor:
         total_area = [G.node_attr(n)[self.attr_name] if self.attr_name in G.node_attr(n) else 0 for n in G.nodes()]
-        return F.normalize(torch.tensor([total_area], dtype=torch.float).T, dim=(0,1))
+        return F.normalize(torch.tensor([total_area], dtype=torch.float).T, dim=(0,1))

test/graphpro/annotations_test.py

@@ -15,9 +15,9 @@ def test_node_target_binary():
 
     target = NodeTargetBinaryAttribute("test_attr")
     y = target.encode(G)
-    assert y.size() == (214, 1)
-    assert torch.all(y[0].eq(torch.tensor([0.])))
-    assert torch.all(y[1].eq(torch.tensor([1.])))
+    assert y.size() == (214,2)
+    assert torch.all(y[0].eq(torch.tensor([1., 0.])))
+    assert torch.all(y[1].eq(torch.tensor([0., 1.])))
 
 
 def test_resname_annotation():

test/graphpro/graph_test.py

@@ -56,4 +56,4 @@ def test_to_data_x_transformer():
 
 def test_to_data_y_target():
     data = SIMPLE_G_ATTR.to_data(node_encoders= [ResidueType()], target = NodeTargetBinaryAttribute("target"))    
-    assert data.y.size() == (2,1)
+    assert data.y.size() == (2,2)