add nxontology metadata to new instances

nxontology/ontology.py

@@ -16,7 +16,7 @@
 from .exceptions import DuplicateError, NodeNotFound
 from .node import Node_Info
 from .similarity import SimilarityIC
-from .utils import Freezable, cache_on_frozen
+from .utils import Freezable, cache_on_frozen, get_datetime_now, get_nxontology_version
 
 logger = logging.getLogger(__name__)
 
@@ -30,9 +30,17 @@ class NXOntology(Freezable, Generic[Node]):
 
     def __init__(self, graph: nx.DiGraph | None = None):
         self.graph = nx.DiGraph(graph)
+        if graph is None:
+            # Store the nxontology version that created the graph as metadata,
+            # in case there are compatability issues in the future.
+            self._add_nxontology_metadata()
         self.check_is_dag()
         self._node_info_cache: dict[Node, Node_Info[Node]] = {}
 
+    def _add_nxontology_metadata(self) -> None:
+        self.graph.graph["nxontology_version"] = get_nxontology_version()
+        self.graph.graph["nxontology_created"] = get_datetime_now()
+
     def check_is_dag(self) -> None:
         if nx.is_directed_acyclic_graph(self.graph):
             return

nxontology/tests/ontology_test.py

@@ -1,4 +1,5 @@
 import pathlib
+from datetime import date
 
 import networkx
 import pytest
@@ -7,6 +8,21 @@
 from nxontology.ontology import NXOntology
 
 
+def test_add_nxontology_metadata() -> None:
+    nxo: NXOntology[str] = NXOntology()
+    assert "nxontology_version" in nxo.graph.graph
+    assert nxo.graph.graph["nxontology_created"].startswith(str(date.today().year))
+
+
+def test_add_nxontology_no_metadata() -> None:
+    graph = networkx.DiGraph()
+    nxo: NXOntology[str] = NXOntology(graph)
+    # When providing an existing graph, we do not update metadata,
+    # although this is not a firm decision that this is the right behavior.
+    assert "nxontology_created" not in nxo.graph.graph
+    assert "nxontology_version" not in nxo.graph.graph
+
+
 def test_n_nodes(metal_nxo: NXOntology[str]) -> None:
     assert metal_nxo.n_nodes == 8
 

nxontology/utils.py

@@ -2,6 +2,8 @@
 
 import abc
 import functools
+import importlib.metadata
+from datetime import datetime, timezone
 from typing import Callable, TypeVar
 
 
@@ -44,3 +46,15 @@ def wrapped(self: T_Freezable) -> T:
     # But mypy looses track of the return type.
     # https://github.com/python/mypy/issues/8083
     return wrapped
+
+
+def get_nxontology_version() -> str | None:
+    # https://github.com/pypa/setuptools_scm/#retrieving-package-version-at-runtime
+    try:
+        return importlib.metadata.version("nxontology")
+    except importlib.metadata.PackageNotFoundError:
+        return None
+
+
+def get_datetime_now() -> str:
+    return datetime.utcnow().replace(microsecond=0, tzinfo=timezone.utc).isoformat()

pyproject.toml

@@ -19,7 +19,7 @@ target-version = ['py37', 'py38', 'py39', 'py310']
 
 # https://mypy.readthedocs.io/en/stable/config_file.html#using-a-pyproject-toml-file
 [tool.mypy]
-python_version = "3.7"
+python_version = "3.8"
 
 [[tool.mypy.overrides]]
 module = [

setup.cfg

@@ -29,9 +29,10 @@ zip_safe = False
 include_package_data = True
 python_requires = >=3.7
 install_requires =
-    networkx>=2
-    pronto>=v2.4.0
     fsspec[http]
+    importlib_metadata; python_version < '3.8'
+    networkx>=2
+    pronto>=2.4.0
 
 [options.extras_require]
 dev =