Experiment single dataset

examples/experiment_example.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "51b7b8be",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from easydynamics.experiment import Experiment\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "eb91e49a",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "vanadium_experiment=Experiment(\"Vanadium\")\n",
+    "vanadium_experiment.load_hdf5(filename=\"example_data/vanadium_data_example.h5\")\n",
+    "\n",
+    "vanadium_experiment.plot_data()\n"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "newdynamics",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.11.13"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}

src/easydynamics/experiment/__init__.py

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+from .experiment import (
+    Experiment,
+)
+
+__all__ = [
+    "Experiment",
+]

src/easydynamics/experiment/experiment.py

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+from typing import Optional, Union
+
+import plopp as pp
+import scipp as sc
+from easyscience.job.experiment import ExperimentBase
+from scipp.io import load_hdf5 as sc_load_hdf5
+from scipp.io import save_hdf5 as sc_save_hdf5
+
+
+class Experiment(ExperimentBase):
+    """
+    Holds data from an experiment as a sc.DataArray along with metadata.
+    """
+
+    def __init__(
+        self,
+        name: str,
+        data: Optional[Union[sc.DataArray, str]] = None,
+        *args,
+        **kwargs,
+    ):
+        super().__init__(name, *args, **kwargs)
+
+        if data is None:
+            self._data: Optional[sc.DataArray] = None
+        elif isinstance(data, str):
+            self.load_hdf5(filename=data)
+        elif isinstance(data, sc.DataArray):
+            self._data = data
+        else:
+            raise TypeError(
+                f"Data must be a sc.DataArray or a filename string, not {type(data).__name__}"
+            )
+
+    def load_hdf5(self, filename: str, name: Optional[str] = None):
+        """
+        Load data from an HDF5 file.
+
+        Args:
+            filename (str): Path to the HDF5 file.
+        """
+        if not isinstance(filename, str):
+            raise TypeError(f"Filename must be a string, not {type(filename).__name__}")
+
+        if name is not None:
+            if not isinstance(name, str):
+                raise TypeError(f"Name must be a string, not {type(name).__name__}")
+            self.name = name
+
+        # TODO: Add checks of dimensions etc. I'm not yet sure what dimensions I want to allow, so for now I trust that the data is valid.
+        loaded_data = sc_load_hdf5(filename)
+        if not isinstance(loaded_data, sc.DataArray):
+            raise TypeError(
+                f"Loaded data must be a sc.DataArray, not {type(loaded_data).__name__}"
+            )
+        self._data = loaded_data
+
+    def save_hdf5(self, filename: Optional[str] = None):
+        """Save the dataset to HDF5.
+
+        Args:
+            filename (str): Path to the output HDF5 file.
+        """
+
+        if filename is None:
+            filename = f"{self.name}.h5"
+
+        if not isinstance(filename, str):
+            raise TypeError(f"Filename must be a string, not {type(filename).__name__}")
+
+        if self._data is None:
+            raise ValueError("No data to save.")
+
+        import os
+
+        dir_name = os.path.dirname(filename)
+        if dir_name:
+            os.makedirs(dir_name, exist_ok=True)
+
+        sc_save_hdf5(self._data, filename)
+
+    def remove_data(self):
+        """Remove the dataset from the experiment."""
+        self._data = None
+
+    @property
+    def data(self) -> Optional[sc.DataArray]:
+        """Get the dataset associated with this experiment."""
+        return self._data
+
+    @data.setter
+    def data(self, value: sc.DataArray):
+        """Set the dataset associated with this experiment."""
+        if not isinstance(value, sc.DataArray):
+            raise TypeError(f"Data must be a sc.DataArray, not {type(value).__name__}")
+        self._data = value
+
+    def plot_data(self):
+        """Plot the dataset using plopp."""
+
+        if self._data is None:
+            raise ValueError("No data to plot. Please load data first.")
+
+        if not self._in_notebook():
+            raise RuntimeError(
+                "plot_data() can only be used in a Jupyter notebook environment."
+            )
+
+        from IPython.display import display
+
+        fig = pp.plot(self._data.transpose(), title=f"{self.name}")
+        display(fig)
+
+    @staticmethod
+    def _in_notebook():
+        try:
+            from IPython import get_ipython
+
+            shell = get_ipython().__class__.__name__
+            if shell == "ZMQInteractiveShell":
+                return True  # Jupyter notebook or JupyterLab
+            elif shell == "TerminalInteractiveShell":
+                return False  # Terminal IPython
+            else:
+                return False
+        except (NameError, ImportError):
+            return False  # Standard Python (no IPython)
+
+    def __repr__(self) -> str:
+        return f"Experiment `{self.name}` with data: {self._data}"
+
+    def __copy__(self) -> "Experiment":
+        """Return a copy of the object."""
+        temp = self.as_dict(skip=["unique_name"])
+        new_obj = self.__class__.from_dict(temp)
+        new_obj.data = self.data.copy() if self.data is not None else None
+        return new_obj