Respect user-specified coordinates attribute. (pydata#3487)

* Respect user-specified coordinates attribute.

* Add whats-new

* Better if statement.

* maybe it's better to not raise an error if "coordinates" in attrs.

* tweak whats-new.

* more thorough test.

* Emit one "coordinates" warning per dataset, instead of one per variable.

Also add stacklevel

* Preserve attrs["coordinates"] when roundtripping with decode_coords=False

* Avoid raising warnings.

* fix whats-new

* [minor] add comments

* fix whats-new

* Actually test global "coordinates" handling.

* filerwarning not necessary.

* Add comment

* fix whats-new

Author: dcherian

doc/io.rst

@@ -437,9 +437,23 @@ like ``'days'`` for ``timedelta64`` data. ``calendar`` should be one of the cale
 supported by netCDF4-python: 'standard', 'gregorian', 'proleptic_gregorian' 'noleap',
 '365_day', '360_day', 'julian', 'all_leap', '366_day'.
 
-By default, xarray uses the 'proleptic_gregorian' calendar and units of the smallest time
+By default, xarray uses the ``'proleptic_gregorian'`` calendar and units of the smallest time
 difference between values, with a reference time of the first time value.
 
+
+.. _io.coordinates:
+
+Coordinates
+...........
+
+You can control the ``coordinates`` attribute written to disk by specifying ``DataArray.encoding["coordinates"]``.
+If not specified, xarray automatically sets ``DataArray.encoding["coordinates"]`` to a space-delimited list
+of names of coordinate variables that share dimensions with the ``DataArray`` being written.
+This allows perfect roundtripping of xarray datasets but may not be desirable.
+When an xarray ``Dataset`` contains non-dimensional coordinates that do not share dimensions with any of
+the variables, these coordinate variable names are saved under a "global" ``"coordinates"`` attribute.
+This is not CF-compliant but again facilitates roundtripping of xarray datasets.
+
 Invalid netCDF files
 ~~~~~~~~~~~~~~~~~~~~
 

doc/whats-new.rst

@@ -148,6 +148,9 @@ New Features
   invoked. (:issue:`3378`, :pull:`3446`, :pull:`3515`)
   By `Deepak Cherian <https://github.com/dcherian>`_ and
   `Guido Imperiale <https://github.com/crusaderky>`_.
+- xarray now respects the ``DataArray.encoding["coordinates"]`` attribute when writing to disk.
+  See :ref:`io.coordinates` for more. (:issue:`3351`, :pull:`3487`)
+  By `Deepak Cherian <https://github.com/dcherian>`_.
 - Add the documented-but-missing :py:meth:`DatasetGroupBy.quantile`.
   (:issue:`3525`, :pull:`3527`). By `Justus Magin <https://github.com/keewis>`_.
 

xarray/conventions.py

@@ -5,7 +5,7 @@
 import pandas as pd
 
 from .coding import strings, times, variables
-from .coding.variables import SerializationWarning
+from .coding.variables import SerializationWarning, pop_to
 from .core import duck_array_ops, indexing
 from .core.common import contains_cftime_datetimes
 from .core.pycompat import dask_array_type
@@ -660,34 +660,46 @@ def _encode_coordinates(variables, attributes, non_dim_coord_names):
                 and set(target_dims) <= set(v.dims)
             ):
                 variable_coordinates[k].add(coord_name)
-                global_coordinates.discard(coord_name)
 
     variables = {k: v.copy(deep=False) for k, v in variables.items()}
 
-    # These coordinates are saved according to CF conventions
-    for var_name, coord_names in variable_coordinates.items():
-        attrs = variables[var_name].attrs
-        if "coordinates" in attrs:
+    # keep track of variable names written to file under the "coordinates" attributes
+    written_coords = set()
+    for name, var in variables.items():
+        encoding = var.encoding
+        attrs = var.attrs
+        if "coordinates" in attrs and "coordinates" in encoding:
             raise ValueError(
-                "cannot serialize coordinates because variable "
-                "%s already has an attribute 'coordinates'" % var_name
+                f"'coordinates' found in both attrs and encoding for variable {name!r}."
             )
-        attrs["coordinates"] = " ".join(map(str, coord_names))
+
+        # this will copy coordinates from encoding to attrs if "coordinates" in attrs
+        # after the next line, "coordinates" is never in encoding
+        # we get support for attrs["coordinates"] for free.
+        coords_str = pop_to(encoding, attrs, "coordinates")
+        if not coords_str and variable_coordinates[name]:
+            attrs["coordinates"] = " ".join(map(str, variable_coordinates[name]))
+        if "coordinates" in attrs:
+            written_coords.update(attrs["coordinates"].split())
 
     # These coordinates are not associated with any particular variables, so we
     # save them under a global 'coordinates' attribute so xarray can roundtrip
     # the dataset faithfully. Because this serialization goes beyond CF
     # conventions, only do it if necessary.
     # Reference discussion:
-    # http://mailman.cgd.ucar.edu/pipermail/cf-metadata/2014/057771.html
+    # http://mailman.cgd.ucar.edu/pipermail/cf-metadata/2014/007571.html
+    global_coordinates.difference_update(written_coords)
     if global_coordinates:
         attributes = dict(attributes)
         if "coordinates" in attributes:
-            raise ValueError(
-                "cannot serialize coordinates because the global "
-                "attribute 'coordinates' already exists"
+            warnings.warn(
+                f"cannot serialize global coordinates {global_coordinates!r} because the global "
+                f"attribute 'coordinates' already exists. This may prevent faithful roundtripping"
+                f"of xarray datasets",
+                SerializationWarning,
             )
-        attributes["coordinates"] = " ".join(map(str, global_coordinates))
+        else:
+            attributes["coordinates"] = " ".join(map(str, global_coordinates))
 
     return variables, attributes
 

xarray/tests/test_backends.py

@@ -33,6 +33,7 @@
 from xarray.backends.netCDF4_ import _extract_nc4_variable_encoding
 from xarray.backends.pydap_ import PydapDataStore
 from xarray.coding.variables import SerializationWarning
+from xarray.conventions import encode_dataset_coordinates
 from xarray.core import indexing
 from xarray.core.options import set_options
 from xarray.core.pycompat import dask_array_type
@@ -522,15 +523,35 @@ def test_roundtrip_coordinates(self):
         with self.roundtrip(original) as actual:
             assert_identical(original, actual)
 
+        original["foo"].encoding["coordinates"] = "y"
+        with self.roundtrip(original, open_kwargs={"decode_coords": False}) as expected:
+            # check roundtripping when decode_coords=False
+            with self.roundtrip(
+                expected, open_kwargs={"decode_coords": False}
+            ) as actual:
+                assert_identical(expected, actual)
+
     def test_roundtrip_global_coordinates(self):
-        original = Dataset({"x": [2, 3], "y": ("a", [42]), "z": ("x", [4, 5])})
+        original = Dataset(
+            {"foo": ("x", [0, 1])}, {"x": [2, 3], "y": ("a", [42]), "z": ("x", [4, 5])}
+        )
         with self.roundtrip(original) as actual:
             assert_identical(original, actual)
 
+        # test that global "coordinates" is as expected
+        _, attrs = encode_dataset_coordinates(original)
+        assert attrs["coordinates"] == "y"
+
+        # test warning when global "coordinates" is already set
+        original.attrs["coordinates"] = "foo"
+        with pytest.warns(SerializationWarning):
+            _, attrs = encode_dataset_coordinates(original)
+            assert attrs["coordinates"] == "foo"
+
     def test_roundtrip_coordinates_with_space(self):
         original = Dataset(coords={"x": 0, "y z": 1})
         expected = Dataset({"y z": 1}, {"x": 0})
-        with pytest.warns(xr.SerializationWarning):
+        with pytest.warns(SerializationWarning):
             with self.roundtrip(original) as actual:
                 assert_identical(expected, actual)
 
@@ -810,6 +831,18 @@ def equals_latlon(obj):
                 assert "coordinates" not in ds["lat"].attrs
                 assert "coordinates" not in ds["lon"].attrs
 
+        original["temp"].encoding["coordinates"] = "lat"
+        with self.roundtrip(original) as actual:
+            assert_identical(actual, original)
+        original["precip"].encoding["coordinates"] = "lat"
+        with create_tmp_file() as tmp_file:
+            original.to_netcdf(tmp_file)
+            with open_dataset(tmp_file, decode_coords=True) as ds:
+                assert "lon" not in ds["temp"].encoding["coordinates"]
+                assert "lon" not in ds["precip"].encoding["coordinates"]
+                assert "coordinates" not in ds["lat"].encoding
+                assert "coordinates" not in ds["lon"].encoding
+
     def test_roundtrip_endian(self):
         ds = Dataset(
             {

xarray/tests/test_conventions.py

@@ -136,6 +136,20 @@ def test_multidimensional_coordinates(self):
         # Should not have any global coordinates.
         assert "coordinates" not in attrs
 
+    def test_do_not_overwrite_user_coordinates(self):
+        orig = Dataset(
+            coords={"x": [0, 1, 2], "y": ("x", [5, 6, 7]), "z": ("x", [8, 9, 10])},
+            data_vars={"a": ("x", [1, 2, 3]), "b": ("x", [3, 5, 6])},
+        )
+        orig["a"].encoding["coordinates"] = "y"
+        orig["b"].encoding["coordinates"] = "z"
+        enc, _ = conventions.encode_dataset_coordinates(orig)
+        assert enc["a"].attrs["coordinates"] == "y"
+        assert enc["b"].attrs["coordinates"] == "z"
+        orig["a"].attrs["coordinates"] = "foo"
+        with raises_regex(ValueError, "'coordinates' found in both attrs"):
+            conventions.encode_dataset_coordinates(orig)
+
     @requires_dask
     def test_string_object_warning(self):
         original = Variable(("x",), np.array(["foo", "bar"], dtype=object)).chunk()