Allow transposing axes in 2d plots

docs/docs/tutorials/tutorial1_brownian.ipynb

@@ -76,7 +76,9 @@
    "source": [
     "We can visualize the data in multiple ways, relying on plopp: https://scipp.github.io/plopp/\n",
     "\n",
-    "We here show two ways to look at the data: as a 2d colormap with intensity as function of `Q` and `energy`, and as a slicer with intensity as function of `energy` for various `Q`."
+    "We here show two ways to look at the data: as a 2d colormap with intensity as function of `Q` and `energy`, and as a slicer with intensity as function of `energy` for various `Q`.\n",
+    "\n",
+    "If you want $Q$ on the x axis, then set `transpose_axes=True`"
    ]
   },
   {
@@ -86,7 +88,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "vanadium_experiment.plot_data(slicer=False)"
+    "vanadium_experiment.plot_data(slicer=False, transpose_axes=False)"
    ]
   },
   {

pyproject.toml

@@ -256,8 +256,7 @@ select = [
 # Ignore specific rules globally
 ignore = [
   'COM812', # https://docs.astral.sh/ruff/rules/missing-trailing-comma/
-  # The following is replaced by 'D'/[tool.ruff.lint.pydocstyle] and [tool.pydoclint]
-  'DOC', # https://docs.astral.sh/ruff/rules/#pydoclint-doc
+  # The following is replaced by 'D'/[tool.ruff.lint.pydocstyle] and [tool.pydoclint]  'DOC', # https://docs.astral.sh/ruff/rules/#pydoclint-doc
   # Disable, as [tool.format_docstring] split one-line docstrings into the canonical multi-line layout
   'D200', # https://docs.astral.sh/ruff/rules/unnecessary-multiline-docstring/
 ]

src/easydynamics/experiment/experiment.py

@@ -8,6 +8,7 @@
 import plopp as pp
 import scipp as sc
 from easyscience.base_classes.new_base import NewBase
+from plopp.backends.matplotlib.figure import InteractiveFigure
 from scipp.io import load_hdf5 as sc_load_hdf5
 from scipp.io import save_hdf5 as sc_save_hdf5
 
@@ -146,9 +147,9 @@ def Q(self) -> sc.Variable | None:
         sc.Variable | None
             The Q values from the dataset, or None if no data is loaded.
         """
-        if self._binned_data is None:
+        if self.binned_data is None:
             return None
-        return self._binned_data.coords['Q']
+        return self.binned_data.coords['Q']
 
     @Q.setter
     def Q(self, _value: sc.Variable) -> None:
@@ -179,9 +180,9 @@ def energy(self) -> sc.Variable | None:
         sc.Variable | None
             The energy values from the dataset, or None if no data is loaded.
         """
-        if self._binned_data is None:
+        if self.binned_data is None:
             return None
-        return self._binned_data.coords['energy']
+        return self.binned_data.coords['energy']
 
     @energy.setter
     def energy(self, _value: sc.Variable) -> None:
@@ -222,7 +223,7 @@ def get_masked_energy(self, Q_index: int) -> sc.Variable | None:
         sc.Variable | None
             The masked energy values from the dataset, or None if no data is loaded.
         """
-        if self._binned_data is None:
+        if self.binned_data is None:
             return None
 
         if (
@@ -232,7 +233,7 @@ def get_masked_energy(self, Q_index: int) -> sc.Variable | None:
         ):
             raise IndexError('Q_index must be a valid index for the Q values.')
 
-        energy = self._binned_data.coords['energy']
+        energy = self.binned_data.coords['energy']
         _, _, _, mask = self._extract_x_y_weights_only_finite(Q_index=Q_index)
 
         mask_var = sc.array(dims=['energy'], values=mask)
@@ -372,31 +373,54 @@ def rebin(self, dimensions: dict[str, int | sc.Variable]) -> None:
     # other methods
     ###########
 
-    def plot_data(self, slicer: bool = False, **kwargs: dict) -> None:
+    def plot_data(
+        self,
+        slicer: bool = False,
+        transpose_axes: bool = False,
+        **kwargs: dict,
+    ) -> InteractiveFigure:
         """
         Plot the dataset using plopp: https://scipp.github.io/plopp/.
 
         Parameters
         ----------
         slicer : bool, default=False
             If True, use plopp's slicer instead of plot.
+        transpose_axes : bool, default=False
+            If True, transpose the data to have dimensions in the order (energy, Q) before
+            plotting, so that energy is on the x-axis. This only applies when slicer=False.
         **kwargs : dict
             Additional keyword arguments to pass to plopp.
 
+        Returns
+        -------
+        InteractiveFigure
+            A plot of the data and model.
+
         Raises
         ------
         ValueError
             If there is no data to plot.
         RuntimeError
             If not in a Jupyter notebook environment.
+        TypeError
+            If slicer or transpose_axes are not True or False.
         """
 
-        if self._binned_data is None:
+        if self.binned_data is None:
             raise ValueError('No data to plot. Please load data first.')
 
         if not _in_notebook():
             raise RuntimeError('plot_data() can only be used in a Jupyter notebook environment.')
 
+        if not isinstance(slicer, bool):
+            raise TypeError(f'slicer must be True or False, not {type(slicer).__name__}')
+
+        if not isinstance(transpose_axes, bool):
+            raise TypeError(
+                f'transpose_axes must be True or False, not {type(transpose_axes).__name__}'
+            )
+
         plot_kwargs_defaults = {
             'title': self.display_name,
         }
@@ -408,15 +432,19 @@ def plot_data(self, slicer: bool = False, **kwargs: dict) -> None:
         plot_kwargs_defaults.update(kwargs)
         if slicer:
             fig = pp.slicer(
-                self._binned_data,
+                self.binned_data,
                 **plot_kwargs_defaults,
             )
             for widget in fig.bottom_bar[0].controls.values():
                 widget.slider_toggler.value = '-o-'
 
         else:
+            if transpose_axes:
+                data_to_plot = self.binned_data.transpose(dims=['energy', 'Q'])
+            else:
+                data_to_plot = self.binned_data.transpose(dims=['Q', 'energy'])
             fig = pp.plot(
-                self._binned_data.transpose(dims=['energy', 'Q']),
+                data_to_plot,
                 **plot_kwargs_defaults,
             )
         return fig

tests/unit/easydynamics/analysis/test_analysis.py

@@ -260,6 +260,9 @@ def test_plot_data_and_model_defaults(self, analysis):
         fake_fig.bottom_bar = [MagicMock()]
         fake_fig.bottom_bar[0].controls = {'test': fake_widget}
 
+        fake_data = MagicMock()
+        fake_data.coords = {'Q': 'Q_VALUES', 'energy': 'ENERGY_VALUES'}
+
         analysis._create_model_array = MagicMock(return_value='MODEL')
         with (
             patch('plopp.slicer', return_value=fake_fig) as mock_slicer,
@@ -270,7 +273,7 @@ def test_plot_data_and_model_defaults(self, analysis):
             ) as mock_binned,
             patch('easydynamics.analysis.analysis._in_notebook', return_value=True),
         ):
-            mock_binned.return_value = 'DATA'
+            mock_binned.return_value = fake_data
             # THEN
             fig = analysis.plot_data_and_model(plot_components=False)
 
@@ -284,7 +287,7 @@ def test_plot_data_and_model_defaults(self, analysis):
         assert 'Data' in data_passed
         assert 'Model' in data_passed
 
-        assert data_passed['Data'] == 'DATA'
+        assert data_passed['Data'] == fake_data
         assert data_passed['Model'] == 'MODEL'
 
         # Check the default kwargs
@@ -310,6 +313,9 @@ def test_plot_data_and_model_plot_components_true(self, analysis):
         fake_fig.bottom_bar = [MagicMock()]
         fake_fig.bottom_bar[0].controls = {'test': fake_widget}
 
+        fake_data = MagicMock()
+        fake_data.coords = {'Q': 'Q_VALUES', 'energy': 'ENERGY_VALUES'}
+
         analysis._create_model_array = MagicMock(return_value='MODEL')
         analysis._create_components_dataset = MagicMock(return_value={'Gaussian': 'GAUSS'})
         with (
@@ -321,7 +327,7 @@ def test_plot_data_and_model_plot_components_true(self, analysis):
             ) as mock_binned,
             patch('easydynamics.analysis.analysis._in_notebook', return_value=True),
         ):
-            mock_binned.return_value = 'DATA'
+            mock_binned.return_value = fake_data
             # THEN
             fig = analysis.plot_data_and_model(plot_components=True)
 
@@ -335,7 +341,7 @@ def test_plot_data_and_model_plot_components_true(self, analysis):
         assert 'Data' in data_passed
         assert 'Model' in data_passed
 
-        assert data_passed['Data'] == 'DATA'
+        assert data_passed['Data'] == fake_data
         assert data_passed['Model'] == 'MODEL'
         # Check the default kwargs
         assert kwargs['title'] == 'TestAnalysis'

tests/unit/easydynamics/experiment/test_experiment.py

@@ -332,7 +332,15 @@ def test_get_masked_energy_invalid_Q_index_raises(self, experiment_with_data, Q_
     # test plotting
     ##############
 
-    def test_plot_data_success(self, experiment):
+    @pytest.mark.parametrize(
+        'transpose_axes, expected_dims',
+        [
+            (False, ['Q', 'energy']),
+            (True, ['energy', 'Q']),
+        ],
+        ids=['no_transpose', 'transpose'],
+    )
+    def test_plot_data_success(self, experiment, transpose_axes, expected_dims):
         "Test plotting data successfully when in notebook environment"
         # WHEN
         with (
@@ -343,12 +351,12 @@ def test_plot_data_success(self, experiment):
             mock_plot.return_value = mock_fig
 
             # THEN
-            result = experiment.plot_data()
+            result = experiment.plot_data(transpose_axes=transpose_axes)
 
             # EXPECT
             mock_plot.assert_called_once()
             args, kwargs = mock_plot.call_args
-            assert sc.identical(args[0], experiment.data.transpose())
+            assert sc.identical(args[0], experiment.data.transpose(dims=expected_dims))
             assert kwargs['title'] == f'{experiment.display_name}'
             assert result == mock_fig
 
@@ -395,6 +403,25 @@ def test_plot_data_not_in_notebook_raises(self, experiment):
         ):
             experiment.plot_data()
 
+    def test_plot_data_invalid_slicer_type_raises(self, experiment):
+        "Test plotting data raises TypeError when slicer argument is invalid"
+        # WHEN THEN EXPECT
+
+        with (
+            patch(f'{Experiment.__module__}._in_notebook', return_value=True),
+            pytest.raises(TypeError, match='slicer must be True or False'),
+        ):
+            experiment.plot_data(slicer='not_a_boolean')
+
+    def test_plot_data_invalid_transpose_type_raises(self, experiment):
+        "Test plotting data raises TypeError when transpose argument is invalid"
+        # WHEN THEN EXPECT
+        with (
+            patch(f'{Experiment.__module__}._in_notebook', return_value=True),
+            pytest.raises(TypeError, match='transpose_axes must be True or False'),
+        ):
+            experiment.plot_data(transpose_axes='not_a_boolean')
+
     ##############
     # test private methods
     ##############