Clean nodes after building the graph (#23)

* feat: clean graph of unneeded attributes after creation

Co-authored-by: Mario Santa Cruz <[email protected]>
Co-authored-by: Helen Theissen <[email protected]>
Co-authored-by: Jesper Dramsch <[email protected]>

src/anemoi/graphs/create.py

@@ -59,6 +59,22 @@ def generate_graph(self) -> HeteroData:
 
         return graph
 
+    def clean(self, graph: HeteroData) -> HeteroData:
+        """Clean the hidden attributes of the nodes and edges."""
+        for nodes_name in graph.node_types:
+            node_attrs = list(graph[nodes_name].keys())
+            for node_attr_name in node_attrs:
+                if node_attr_name.startswith("_"):
+                    del graph[nodes_name][node_attr_name]
+
+        for edge_key in graph.edge_types:
+            edge_attrs = graph[edge_key].keys()
+            for edge_attr_name in edge_attrs:
+                if edge_attr_name.startswith("_"):
+                    del graph[edge_key][edge_attr_name]
+
+        return graph
+
     def save(self, graph: HeteroData) -> None:
         """Save the graph to the output path."""
         if not os.path.exists(self.path) or self.overwrite:
@@ -69,6 +85,7 @@ def create(self) -> HeteroData:
         """Create the graph and save it to the output path."""
         self.init()
         graph = self.generate_graph()
+        graph = self.clean(graph)
         self.save(graph)
         return graph
 

src/anemoi/graphs/edges/builder.py

@@ -276,26 +276,26 @@ def __init__(self, source_name: str, target_name: str, x_hops: int):
         self.x_hops = x_hops
 
     def adjacency_from_tri_nodes(self, source_nodes: NodeStorage):
-        source_nodes["nx_graph"] = icosahedral.add_edges_to_nx_graph(
-            source_nodes["nx_graph"],
-            resolutions=source_nodes["resolutions"],
+        source_nodes["_nx_graph"] = icosahedral.add_edges_to_nx_graph(
+            source_nodes["_nx_graph"],
+            resolutions=source_nodes["_resolutions"],
             x_hops=self.x_hops,
         )  # HeteroData refuses to accept None
 
         adjmat = nx.to_scipy_sparse_array(
-            source_nodes["nx_graph"], nodelist=list(range(len(source_nodes["nx_graph"]))), format="coo"
+            source_nodes["_nx_graph"], nodelist=list(range(len(source_nodes["_nx_graph"]))), format="coo"
         )
         return adjmat
 
     def adjacency_from_hex_nodes(self, source_nodes: NodeStorage):
 
-        source_nodes["nx_graph"] = hexagonal.add_edges_to_nx_graph(
-            source_nodes["nx_graph"],
-            resolutions=source_nodes["resolutions"],
+        source_nodes["_nx_graph"] = hexagonal.add_edges_to_nx_graph(
+            source_nodes["_nx_graph"],
+            resolutions=source_nodes["_resolutions"],
             x_hops=self.x_hops,
         )
 
-        adjmat = nx.to_scipy_sparse_array(source_nodes["nx_graph"], format="coo")
+        adjmat = nx.to_scipy_sparse_array(source_nodes["_nx_graph"], format="coo")
         return adjmat
 
     def get_adjacency_matrix(self, source_nodes: NodeStorage, target_nodes: NodeStorage):
@@ -311,7 +311,7 @@ def get_adjacency_matrix(self, source_nodes: NodeStorage, target_nodes: NodeStor
         return adjmat
 
     def post_process_adjmat(self, nodes: NodeStorage, adjmat):
-        graph_sorted = {node_pos: i for i, node_pos in enumerate(nodes["node_ordering"])}
+        graph_sorted = {node_pos: i for i, node_pos in enumerate(nodes["_node_ordering"])}
         sort_func = np.vectorize(graph_sorted.get)
         adjmat.row = sort_func(adjmat.row)
         adjmat.col = sort_func(adjmat.col)

src/anemoi/graphs/nodes/builder.py

@@ -226,9 +226,9 @@ def get_coordinates(self) -> torch.Tensor:
     def create_nodes(self) -> np.ndarray: ...
 
     def register_attributes(self, graph: HeteroData, config: DotDict) -> HeteroData:
-        graph[self.name]["resolutions"] = self.resolutions
-        graph[self.name]["nx_graph"] = self.nx_graph
-        graph[self.name]["node_ordering"] = self.node_ordering
+        graph[self.name]["_resolutions"] = self.resolutions
+        graph[self.name]["_nx_graph"] = self.nx_graph
+        graph[self.name]["_node_ordering"] = self.node_ordering
         return super().register_attributes(graph, config)
 
 

tests/edges/test_multiscale_edges.py

@@ -6,7 +6,7 @@
 from anemoi.graphs.nodes import TriNodes
 
 
-class TestIcosahedralEdgesInit:
+class TestMultiScaleEdgesInit:
     def test_init(self):
         """Test MultiScaleEdges initialization."""
         assert isinstance(MultiScaleEdges("test_nodes", "test_nodes", 1), MultiScaleEdges)
@@ -23,7 +23,7 @@ def test_fail_init_diff_nodes(self):
             MultiScaleEdges("test_nodes", "test_nodes2", 0)
 
 
-class TestIcosahedralEdgesTransform:
+class TestMultiScaleEdgesTransform:
 
     @pytest.fixture()
     def tri_ico_graph(self) -> HeteroData:

tests/nodes/test_hex_nodes.py

@@ -28,7 +28,7 @@ def test_update_graph():
     node_builder = HexNodes(0, "test_nodes")
     graph = HeteroData()
     graph = node_builder.update_graph(graph, {})
-    assert "resolutions" in graph["test_nodes"]
-    assert "nx_graph" in graph["test_nodes"]
-    assert "node_ordering" in graph["test_nodes"]
-    assert len(graph["test_nodes"]["node_ordering"]) == graph["test_nodes"].num_nodes
+    assert "_resolutions" in graph["test_nodes"]
+    assert "_nx_graph" in graph["test_nodes"]
+    assert "_node_ordering" in graph["test_nodes"]
+    assert len(graph["test_nodes"]["_node_ordering"]) == graph["test_nodes"].num_nodes

tests/nodes/test_tri_nodes.py

@@ -28,7 +28,7 @@ def test_update_graph():
     node_builder = TriNodes(1, "test_nodes")
     graph = HeteroData()
     graph = node_builder.update_graph(graph, {})
-    assert "resolutions" in graph["test_nodes"]
-    assert "nx_graph" in graph["test_nodes"]
-    assert "node_ordering" in graph["test_nodes"]
-    assert len(graph["test_nodes"]["node_ordering"]) == graph["test_nodes"].num_nodes
+    assert "_resolutions" in graph["test_nodes"]
+    assert "_nx_graph" in graph["test_nodes"]
+    assert "_node_ordering" in graph["test_nodes"]
+    assert len(graph["test_nodes"]["_node_ordering"]) == graph["test_nodes"].num_nodes

tests/test_create.py

@@ -0,0 +1,47 @@
+# (C) Copyright 2024 European Centre for Medium-Range Weather Forecasts.
+# This software is licensed under the terms of the Apache Licence Version 2.0
+# which can be obtained at http://www.apache.org/licenses/LICENSE-2.0.
+# In applying this licence, ECMWF does not waive the privileges and immunities
+# granted to it by virtue of its status as an intergovernmental organisation
+# nor does it submit to any jurisdiction.
+
+
+from pathlib import Path
+
+import torch
+from torch_geometric.data import HeteroData
+
+from anemoi.graphs.create import GraphCreator
+
+
+class TestGraphCreator:
+
+    def test_generate_graph(self, config_file: tuple[Path, str], mock_grids_path: tuple[str, int]):
+        """Test GraphCreator workflow."""
+        tmp_path, config_name = config_file
+        graph_path = tmp_path / "graph.pt"
+        config_path = tmp_path / config_name
+
+        GraphCreator(graph_path, config_path).create()
+
+        graph = torch.load(graph_path)
+        assert isinstance(graph, HeteroData)
+        assert "test_nodes" in graph.node_types
+        assert ("test_nodes", "to", "test_nodes") in graph.edge_types
+
+        for nodes in graph.node_stores:
+            for node_attr in nodes.node_attrs():
+                assert isinstance(nodes[node_attr], torch.Tensor)
+                assert nodes[node_attr].dtype in [torch.int32, torch.float32]
+
+        for edges in graph.edge_stores:
+            for edge_attr in edges.edge_attrs():
+                assert isinstance(edges[edge_attr], torch.Tensor)
+                assert edges[edge_attr].dtype in [torch.int32, torch.float32]
+
+        for nodes in graph.node_stores:
+            for node_attr in nodes.node_attrs():
+                assert not node_attr.startswith("_")
+        for edges in graph.edge_stores:
+            for edge_attr in edges.edge_attrs():
+                assert not edge_attr.startswith("_")