Merge pull request #214 from scipp/update-for-next-scipp

Update for next scipp

Author: jl-wynen

docs/instruments/amor/amor_reduction.ipynb

@@ -24,9 +24,7 @@
     "import scipp as sc\n",
     "import plopp as pp\n",
     "from ess import amor, reflectometry\n",
-    "import ess\n",
-    "\n",
-    "pp.patch_scipp()"
+    "import ess"
    ]
   },
   {
@@ -858,7 +856,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.17"
+   "version": "3.10.12"
   }
  },
  "nbformat": 4,

docs/instruments/loki/sans2d_reduction.ipynb

@@ -547,7 +547,8 @@
    "mimetype": "text/x-python",
    "name": "python",
    "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3"
+   "pygments_lexer": "ipython3",
+   "version": "3.10.12"
   }
  },
  "nbformat": 4,

docs/instruments/loki/sans2d_to_I_of_Q.ipynb

@@ -687,7 +687,7 @@
     "# Insert a copy of coords needed for conversion to Q.\n",
     "# TODO: can this be avoided by copying the Q coords from the converted numerator?\n",
     "for coord in ['position', 'sample_position', 'source_position']:\n",
-    "    denominator.coords[coord] = sample.meta[coord]\n",
+    "    denominator.coords[coord] = sample.coords[coord]\n",
     "\n",
     "denominator"
    ]
@@ -901,7 +901,8 @@
    "mimetype": "text/x-python",
    "name": "python",
    "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3"
+   "pygments_lexer": "ipython3",
+   "version": "3.10.12"
   }
  },
  "nbformat": 4,

docs/techniques/sans/sans-beam-center-finder.ipynb

@@ -598,7 +598,8 @@
    "mimetype": "text/x-python",
    "name": "python",
    "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3"
+   "pygments_lexer": "ipython3",
+   "version": "3.10.12"
   }
  },
  "nbformat": 4,

docs/techniques/wfm/introduction-to-wfm.ipynb

@@ -225,7 +225,7 @@
     "    ax.text(t_B, -height * z_det, r\"$t_{B}$\", ha=\"center\", va=\"top\", fontsize=8)\n",
     "\n",
     "    z_wfm = sc.norm(\n",
-    "        0.5 * (chopper_wfm1[\"position\"].data + chopper_wfm2[\"position\"].data)\n",
+    "        0.5 * (chopper_wfm1[\"position\"] + chopper_wfm2[\"position\"])\n",
     "    ).value\n",
     "    xmin = ch.time_open(chopper_wfm1).values[0]\n",
     "    xmax = ch.time_closed(chopper_wfm1).values[0]\n",
@@ -369,7 +369,7 @@
     "    chopper_wfm1 = coords[\"chopper_wfm_1\"].value\n",
     "    chopper_wfm2 = coords[\"chopper_wfm_2\"].value\n",
     "    z_wfm = sc.norm(\n",
-    "        0.5 * (chopper_wfm1[\"position\"].data + chopper_wfm2[\"position\"].data)\n",
+    "        0.5 * (chopper_wfm1[\"position\"] + chopper_wfm2[\"position\"])\n",
     "    ).value\n",
     "    xmax = ch.time_closed(chopper_wfm1).values[0]\n",
     "    z_foc = 12.0\n",
@@ -403,7 +403,7 @@
     "\n",
     "    xmid = (\n",
     "        0.5\n",
-    "        * ((frames[\"time_min\"] + frames[\"time_min\"] + frames[\"delta_time_min\"]).data)\n",
+    "        * ((frames[\"time_min\"] + frames[\"time_min\"] + frames[\"delta_time_min\"]))\n",
     "    ).values[0]\n",
     "    ax.plot([xmid] * 2, [z_det, z_det + 0.5], lw=1, color='k')\n",
     "\n",
@@ -432,9 +432,7 @@
     "        (\n",
     "            0.5\n",
     "            * (\n",
-    "                (\n",
-    "                    frames[\"time_max\"] + frames[\"time_max\"] - frames[\"delta_time_max\"]\n",
-    "                ).data\n",
+    "                frames[\"time_max\"] + frames[\"time_max\"] - frames[\"delta_time_max\"]\n",
     "            )\n",
     "        ).values,\n",
     "        z_det + 1.0,\n",
@@ -488,7 +486,7 @@
     "    chopper_wfm1 = coords[\"chopper_wfm_1\"].value\n",
     "    chopper_wfm2 = coords[\"chopper_wfm_2\"].value\n",
     "    z_wfm = sc.norm(\n",
-    "        0.5 * (chopper_wfm1[\"position\"].data + chopper_wfm2[\"position\"].data)\n",
+    "        0.5 * (chopper_wfm1[\"position\"] + chopper_wfm2[\"position\"])\n",
     "    ).value\n",
     "    z_det = sc.norm(ds.coords[\"position\"]).value\n",
     "\n",
@@ -516,11 +514,11 @@
     "\n",
     "    xmid_min = (\n",
     "        0.5\n",
-    "        * ((frames[\"time_min\"] + frames[\"time_min\"] + frames[\"delta_time_min\"]).data)\n",
+    "        * ((frames[\"time_min\"] + frames[\"time_min\"] + frames[\"delta_time_min\"]))\n",
     "    ).values\n",
     "    xmid_max = (\n",
     "        0.5\n",
-    "        * ((frames[\"time_max\"] + frames[\"time_max\"] - frames[\"delta_time_max\"]).data)\n",
+    "        * ((frames[\"time_max\"] + frames[\"time_max\"] - frames[\"delta_time_max\"]))\n",
     "    ).values\n",
     "\n",
     "    ax.text(\n",
@@ -1046,12 +1044,12 @@
    "source": [
     "# Distance between WFM choppers\n",
     "dz_wfm = sc.norm(\n",
-    "    ds.coords[\"chopper_wfm_2\"].value[\"position\"].data\n",
-    "    - ds.coords[\"chopper_wfm_1\"].value[\"position\"].data\n",
+    "    ds.coords[\"chopper_wfm_2\"].value[\"position\"]\n",
+    "    - ds.coords[\"chopper_wfm_1\"].value[\"position\"]\n",
     ")\n",
     "# Delta_lambda  / lambda\n",
     "dlambda_over_lambda = dz_wfm / sc.norm(\n",
-    "    coords['position'] - frames['wfm_chopper_mid_point'].data\n",
+    "    coords['position'] - frames['wfm_chopper_mid_point']\n",
     ")\n",
     "(1.5 * sc.units.angstrom) * dlambda_over_lambda"
    ]
@@ -1291,7 +1289,8 @@
    "mimetype": "text/x-python",
    "name": "python",
    "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3"
+   "pygments_lexer": "ipython3",
+   "version": "3.10.12"
   }
  },
  "nbformat": 4,

docs/techniques/wfm/reducing-wfm-data.ipynb

@@ -335,16 +335,16 @@
     "    # Compute event arrival times at wfm choppers 1 and 2\n",
     "    slopes = 1.0 / (alpha * item[\"wavelengths\"])\n",
     "    intercepts = -slopes * item[\"birth_times\"]\n",
-    "    times_at_wfm1 = (sc.norm(near_wfm_chopper[\"position\"].data) - intercepts) / slopes\n",
-    "    times_at_wfm2 = (sc.norm(far_wfm_chopper[\"position\"].data) - intercepts) / slopes\n",
+    "    times_at_wfm1 = (sc.norm(near_wfm_chopper[\"position\"]) - intercepts) / slopes\n",
+    "    times_at_wfm2 = (sc.norm(far_wfm_chopper[\"position\"]) - intercepts) / slopes\n",
     "    # Create a mask to see if neutrons go through one of the openings\n",
     "    mask = sc.zeros(dims=times_at_wfm1.dims, shape=times_at_wfm1.shape, dtype=bool)\n",
     "    for i in range(len(frames[\"time_min\"])):\n",
     "        mask |= (\n",
     "            (times_at_wfm1 >= near_time_open[\"frame\", i])\n",
     "            & (times_at_wfm1 <= near_time_close[\"frame\", i])\n",
-    "            & (item[\"wavelengths\"] >= frames[\"wavelength_min\"][\"frame\", i]).data\n",
-    "            & (item[\"wavelengths\"] <= frames[\"wavelength_max\"][\"frame\", i]).data\n",
+    "            & (item[\"wavelengths\"] >= frames[\"wavelength_min\"][\"frame\", i])\n",
+    "            & (item[\"wavelengths\"] <= frames[\"wavelength_max\"][\"frame\", i])\n",
     "        )\n",
     "    item[\"valid_indices\"] = np.ravel(np.where(mask.values))"
    ]
@@ -387,6 +387,7 @@
     ")\n",
     "\n",
     "# Histogram the data\n",
+    "histogrammed_data = {}\n",
     "for key, item in events.items():\n",
     "    da = sc.DataArray(\n",
     "        data=sc.ones(\n",
@@ -401,8 +402,9 @@
     "            )\n",
     "        },\n",
     "    )\n",
-    "    ds[key] = da.hist(time=time_coord)\n",
+    "    histogrammed_data[key] = da.hist(time=time_coord)\n",
     "\n",
+    "ds = sc.Dataset(histogrammed_data, coords=ds.coords)\n",
     "ds"
    ]
   },
@@ -700,7 +702,7 @@
     "    unit=events_no_wfm[\"sample\"][\"arrival_times\"].unit,\n",
     ")\n",
     "\n",
-    "ds_no_wfm = sc.Dataset(coords=coords)\n",
+    "data_no_wfm = {}\n",
     "\n",
     "# Histogram the data\n",
     "for key, item in events_no_wfm.items():\n",
@@ -717,8 +719,9 @@
     "            )\n",
     "        },\n",
     "    )\n",
-    "    ds_no_wfm[key] = da.hist(tof=time_coord_no_wfm)\n",
+    "    data_no_wfm[key] = da.hist(tof=time_coord_no_wfm)\n",
     "\n",
+    "ds_no_wfm = sc.Dataset(data_no_wfm, coords=coords)\n",
     "ds_no_wfm"
    ]
   },
@@ -875,7 +878,7 @@
     "    unit=events[\"sample\"][\"arrival_times\"].unit,\n",
     ")\n",
     "\n",
-    "ds_event = sc.Dataset(coords=coords)\n",
+    "data_event = {}\n",
     "\n",
     "# Bin the data\n",
     "for key, item in events.items():\n",
@@ -892,8 +895,9 @@
     "            )\n",
     "        },\n",
     "    )\n",
-    "    ds_event[key] = da.bin(time=time_coord)\n",
+    "    data_event[key] = da.bin(time=time_coord)\n",
     "\n",
+    "ds_event = sc.Dataset(data_event, coords=coords)\n",
     "ds_event"
    ]
   },
@@ -1114,7 +1118,8 @@
    "mimetype": "text/x-python",
    "name": "python",
    "nbconvert_exporter": "python",
-   "pygments_lexer": "ipython3"
+   "pygments_lexer": "ipython3",
+   "version": "3.8.17"
   }
  },
  "nbformat": 4,

src/ess/_migration.py

@@ -0,0 +1,32 @@
+# SPDX-License-Identifier: BSD-3-Clause
+# Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
+
+from typing import MutableMapping
+
+import scipp as sc
+
+
+def get_attrs(da: sc.DataArray) -> MutableMapping[str, sc.Variable]:
+    try:
+        # During deprecation phase
+        return da.deprecated_attrs
+    except AttributeError:
+        try:
+            # Before deprecation phase
+            return da.attrs
+        except AttributeError:
+            # After deprecation phase / removal of attrs
+            return da.coords
+
+
+def get_meta(da: sc.DataArray) -> MutableMapping[str, sc.Variable]:
+    try:
+        # During deprecation phase
+        return da.deprecated_meta
+    except AttributeError:
+        try:
+            # Before deprecation phase
+            return da.meta
+        except AttributeError:
+            # After deprecation phase / removal of attrs
+            return da.coords

src/ess/amor/conversions.py

@@ -16,8 +16,7 @@ def incident_beam(
     instead of the source_position vector.
     """
     chopper_midpoint = (
-        source_chopper_1.value['position'].data
-        + source_chopper_2.value['position'].data
+        source_chopper_1.value['position'] + source_chopper_2.value['position']
     ) * sc.scalar(0.5)
     return sample_position - chopper_midpoint
 

src/ess/amor/load.py

@@ -33,10 +33,10 @@ def _tof_correction(data: sc.DataArray, dim: str = 'tof') -> sc.DataArray:
         data.attrs['orso'].value.reduction.corrections += ['chopper ToF correction']
     tof_unit = data.bins.coords[dim].bins.unit
     tau = sc.to_unit(
-        1 / (2 * data.coords['source_chopper_2'].value['frequency'].data),
+        1 / (2 * data.coords['source_chopper_2'].value['frequency']),
         tof_unit,
     )
-    chopper_phase = data.coords['source_chopper_2'].value['phase'].data
+    chopper_phase = data.coords['source_chopper_2'].value['phase']
     tof_offset = tau * chopper_phase / (180.0 * sc.units.deg)
     # Make 2 bins, one for each pulse
     edges = sc.concat([-tof_offset, tau - tof_offset, 2 * tau - tof_offset], dim)

src/ess/amor/resolution.py

@@ -29,11 +29,9 @@ def wavelength_resolution(
         The angular resolution variable, as standard deviation.
     """
     distance_between_choppers = (
-        chopper_2_position.data.fields.z - chopper_1_position.data.fields.z
-    )
-    chopper_midpoint = (chopper_1_position.data + chopper_2_position.data) * sc.scalar(
-        0.5
+        chopper_2_position.fields.z - chopper_1_position.fields.z
     )
+    chopper_midpoint = (chopper_1_position + chopper_2_position) * sc.scalar(0.5)
     chopper_detector_distance = pixel_position.fields.z - chopper_midpoint.fields.z
     return fwhm_to_std(distance_between_choppers / chopper_detector_distance)
 

src/ess/choppers/make_chopper.py

@@ -14,10 +14,10 @@ def make_chopper(
     cutout_angles_begin: sc.Variable = None,
     cutout_angles_end: sc.Variable = None,
     kind: str = None,
-) -> sc.Dataset:
+) -> sc.DataGroup:
     """
-    Create a Dataset that holds chopper parameters.
-    This ensures the Dataset is compatible with the other functions in the choppers
+    Create a DataGroup that holds chopper parameters.
+    This ensures the DataGroup is compatible with the other functions in the choppers
     module.
     Defining a chopper's cutout angles can either constructed from an array of cutout
     centers and an array of angular widths, or two arrays containing the begin (leading)
@@ -33,20 +33,19 @@ def make_chopper(
     :param kind: The chopper kind. Any string can be supplied, but WFM choppers should
         be given 'wfm' as their kind.
     """
-    data = {"frequency": frequency, "position": position}
+    chopper = sc.DataGroup({"frequency": frequency, "position": position})
     if phase is not None:
-        data["phase"] = phase
+        chopper["phase"] = phase
     if cutout_angles_center is not None:
-        data["cutout_angles_center"] = cutout_angles_center
+        chopper["cutout_angles_center"] = cutout_angles_center
     if cutout_angles_width is not None:
-        data["cutout_angles_width"] = cutout_angles_width
+        chopper["cutout_angles_width"] = cutout_angles_width
     if cutout_angles_begin is not None:
-        data["cutout_angles_begin"] = cutout_angles_begin
+        chopper["cutout_angles_begin"] = cutout_angles_begin
     if cutout_angles_end is not None:
-        data["cutout_angles_end"] = cutout_angles_end
+        chopper["cutout_angles_end"] = cutout_angles_end
     if kind is not None:
-        data["kind"] = kind
-    chopper = sc.Dataset(data=data)
+        chopper["kind"] = kind
 
     # Sanitize input parameters
     if (None not in [cutout_angles_begin, cutout_angles_end]) or (