Refactor pandas save load and convert dtypes

pyproject.toml

@@ -94,7 +94,6 @@ preprocessing = [
 full = [
     "h5py",
     "pandas",
-    "xarray",
     "scipy",
     "scikit-learn",
     "networkx",
@@ -148,7 +147,6 @@ test = [
     "pytest-dependency",
     "pytest-cov",
 
-    "xarray",
     "huggingface_hub",
 
     # preprocessing
@@ -193,7 +191,6 @@ docs = [
     "pandas", # in the modules gallery comparison tutorial
     "hdbscan>=0.8.33",   # For sorters spykingcircus2 + tridesclous
     "numba", # For many postprocessing functions
-    "xarray", # For use of SortingAnalyzer zarr format
     "networkx",
     # Download data
     "pooch>=1.8.2",

src/spikeinterface/core/sortinganalyzer.py

@@ -11,6 +11,7 @@
 import shutil
 import warnings
 import importlib
+from packaging.version import parse
 from time import perf_counter
 
 import numpy as np
@@ -579,6 +580,20 @@ def load_from_zarr(cls, folder, recording=None, storage_options=None):
 
         zarr_root = zarr.open_consolidated(str(folder), mode="r", storage_options=storage_options)
 
+        si_info = zarr_root.attrs["spikeinterface_info"]
+        if parse(si_info["version"]) < parse("0.101.1"):
+            # v0.101.0 did not have a consolidate metadata step after computing extensions.
+            # Here we try to consolidate the metadata and throw a warning if it fails.
+            try:
+                zarr_root_a = zarr.open(str(folder), mode="a", storage_options=storage_options)
+                zarr.consolidate_metadata(zarr_root_a.store)
+            except Exception as e:
+                warnings.warn(
+                    "The zarr store was not properly consolidated prior to v0.101.1. "
+                    "This may lead to unexpected behavior in loading extensions. "
+                    "Please consider re-saving the SortingAnalyzer object."
+                )
+
         # load internal sorting in memory
         sorting = NumpySorting.from_sorting(
             ZarrSortingExtractor(folder, zarr_group="sorting", storage_options=storage_options),
@@ -1970,12 +1985,14 @@ def load_data(self):
                 if "dict" in ext_data_.attrs:
                     ext_data = ext_data_[0]
                 elif "dataframe" in ext_data_.attrs:
-                    import xarray
+                    import pandas as pd
 
-                    ext_data = xarray.open_zarr(
-                        ext_data_.store, group=f"{extension_group.name}/{ext_data_name}"
-                    ).to_pandas()
-                    ext_data.index.rename("", inplace=True)
+                    index = ext_data_["index"]
+                    ext_data = pd.DataFrame(index=index)
+                    for col in ext_data_.keys():
+                        if col != "index":
+                            ext_data.loc[:, col] = ext_data_[col][:]
+                    ext_data = ext_data.convert_dtypes()
                 elif "object" in ext_data_.attrs:
                     ext_data = ext_data_[0]
                 else:
@@ -2031,12 +2048,21 @@ def run(self, save=True, **kwargs):
         if save and not self.sorting_analyzer.is_read_only():
             self._save_run_info()
             self._save_data(**kwargs)
+            if self.format == "zarr":
+                import zarr
+
+                zarr.consolidate_metadata(self.sorting_analyzer._get_zarr_root().store)
 
     def save(self, **kwargs):
         self._save_params()
         self._save_importing_provenance()
-        self._save_data(**kwargs)
         self._save_run_info()
+        self._save_data(**kwargs)
+
+        if self.format == "zarr":
+            import zarr
+
+            zarr.consolidate_metadata(self.sorting_analyzer._get_zarr_root().store)
 
     def _save_data(self, **kwargs):
         if self.format == "memory":
@@ -2096,12 +2122,12 @@ def _save_data(self, **kwargs):
                 elif isinstance(ext_data, np.ndarray):
                     extension_group.create_dataset(name=ext_data_name, data=ext_data, compressor=compressor)
                 elif HAS_PANDAS and isinstance(ext_data, pd.DataFrame):
-                    ext_data.to_xarray().to_zarr(
-                        store=extension_group.store,
-                        group=f"{extension_group.name}/{ext_data_name}",
-                        mode="a",
-                    )
-                    extension_group[ext_data_name].attrs["dataframe"] = True
+                    df_group = extension_group.create_group(ext_data_name)
+                    # first we save the index
+                    df_group.create_dataset(name="index", data=ext_data.index.to_numpy())
+                    for col in ext_data.columns:
+                        df_group.create_dataset(name=col, data=ext_data[col].to_numpy())
+                    df_group.attrs["dataframe"] = True
                 else:
                     # any object
                     try:
@@ -2111,8 +2137,6 @@ def _save_data(self, **kwargs):
                     except:
                         raise Exception(f"Could not save {ext_data_name} as extension data")
                     extension_group[ext_data_name].attrs["object"] = True
-            # we need to re-consolidate
-            zarr.consolidate_metadata(self.sorting_analyzer._get_zarr_root().store)
 
     def _reset_extension_folder(self):
         """
@@ -2240,9 +2264,10 @@ def get_pipeline_nodes(self):
         return self._get_pipeline_nodes()
 
     def get_data(self, *args, **kwargs):
-        assert self.run_info[
-            "run_completed"
-        ], f"You must run the extension {self.extension_name} before retrieving data"
+        if self.run_info is not None:
+            assert self.run_info[
+                "run_completed"
+            ], f"You must run the extension {self.extension_name} before retrieving data"
         assert len(self.data) > 0, "Extension has been run but no data found."
         return self._get_data(*args, **kwargs)
 

src/spikeinterface/postprocessing/template_metrics.py

@@ -318,6 +318,10 @@ def _compute_metrics(self, sorting_analyzer, unit_ids=None, verbose=False, metri
                     warnings.warn(f"Error computing metric {metric_name} for unit {unit_id}: {e}")
                     value = np.nan
                 template_metrics.at[index, metric_name] = value
+
+        # we use the convert_dtypes to convert the columns to the most appropriate dtype and avoid object columns
+        # (in case of NaN values)
+        template_metrics = template_metrics.convert_dtypes()
         return template_metrics
 
     def _run(self, verbose=False):

src/spikeinterface/postprocessing/tests/common_extension_tests.py

@@ -5,7 +5,7 @@
 import numpy as np
 
 from spikeinterface.core import generate_ground_truth_recording
-from spikeinterface.core import create_sorting_analyzer
+from spikeinterface.core import create_sorting_analyzer, load_sorting_analyzer
 from spikeinterface.core import estimate_sparsity
 
 
@@ -116,6 +116,8 @@ def _check_one(self, sorting_analyzer, extension_class, params):
         with the passed parameters, and check the output is not empty, the extension
         exists and `select_units()` method works.
         """
+        import pandas as pd
+
         if extension_class.need_job_kwargs:
             job_kwargs = dict(n_jobs=2, chunk_duration="1s", progress_bar=True)
         else:
@@ -138,6 +140,26 @@ def _check_one(self, sorting_analyzer, extension_class, params):
         merged = sorting_analyzer.merge_units(some_merges, format="memory", merging_mode="soft", sparsity_overlap=0.0)
         assert len(merged.unit_ids) == num_units_after_merge
 
+        # test roundtrip
+        if sorting_analyzer.format in ("binary_folder", "zarr"):
+            sorting_analyzer_loaded = load_sorting_analyzer(sorting_analyzer.folder)
+            ext_loaded = sorting_analyzer_loaded.get_extension(extension_class.extension_name)
+            for ext_data_name, ext_data_loaded in ext_loaded.data.items():
+                if isinstance(ext_data_loaded, np.ndarray):
+                    assert np.array_equal(ext.data[ext_data_name], ext_data_loaded)
+                elif isinstance(ext_data_loaded, pd.DataFrame):
+                    # skip nan values
+                    for col in ext_data_loaded.columns:
+                        np.testing.assert_array_almost_equal(
+                            ext.data[ext_data_name][col].dropna().to_numpy(),
+                            ext_data_loaded[col].dropna().to_numpy(),
+                            decimal=5,
+                        )
+                elif isinstance(ext_data_loaded, dict):
+                    assert ext.data[ext_data_name] == ext_data_loaded
+                else:
+                    continue
+
     def run_extension_tests(self, extension_class, params):
         """
         Convenience function to perform all checks on the extension

src/spikeinterface/qualitymetrics/quality_metric_calculator.py

@@ -139,7 +139,9 @@ def _compute_metrics(self, sorting_analyzer, unit_ids=None, verbose=False, metri
         """
         Compute quality metrics.
         """
+        import pandas as pd
 
+        metric_names = self.params["metric_names"]
         qm_params = self.params["qm_params"]
         # sparsity = self.params["sparsity"]
         seed = self.params["seed"]
@@ -163,8 +165,6 @@ def _compute_metrics(self, sorting_analyzer, unit_ids=None, verbose=False, metri
             non_empty_unit_ids = unit_ids
             empty_unit_ids = []
 
-        import pandas as pd
-
         metrics = pd.DataFrame(index=unit_ids)
 
         # simple metrics not based on PCs
@@ -216,6 +216,9 @@ def _compute_metrics(self, sorting_analyzer, unit_ids=None, verbose=False, metri
         if len(empty_unit_ids) > 0:
             metrics.loc[empty_unit_ids] = np.nan
 
+        # we use the convert_dtypes to convert the columns to the most appropriate dtype and avoid object columns
+        # (in case of NaN values)
+        metrics = metrics.convert_dtypes()
         return metrics
 
     def _run(self, verbose=False, **job_kwargs):