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Unit overhaul 4/6: Separate unit into x_unit/y_unit and update tutorials #224

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85e166b
Rename model unit to separate x_unit and y_unit (core)
henrikjacobsenfys Jul 6, 2026
5780e68
Add tests for x_unit rename edge cases and get_fit_targets (#224 patc…
henrikjacobsenfys Jul 7, 2026
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19 changes: 4 additions & 15 deletions docs/docs/tutorials/analysis.ipynb
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Expand Up @@ -255,17 +255,6 @@
"diffusion_analysis.plot_parameters(names=['Lorentzian width', 'Lorentzian area'])"
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "eb226c8f",
"metadata": {},
"outputs": [],
"source": [
"# It will be possible to fit this to a DiffusionModel, but that will\n",
"# come later."
]
},
{
"cell_type": "code",
"execution_count": null,
Expand Down Expand Up @@ -332,13 +321,13 @@
"outputs": [],
"source": [
"# Let us look at the fitted diffusion coefficient\n",
"diffusion_model.get_all_parameters()"
"diffusion_model.get_fittable_parameters()"
]
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -352,9 +341,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.14.4"
"version": "3.14.5"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
6 changes: 3 additions & 3 deletions docs/docs/tutorials/analysis1d.ipynb
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Expand Up @@ -81,7 +81,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -95,9 +95,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.14.5"
"version": "3.14.6"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
6 changes: 3 additions & 3 deletions docs/docs/tutorials/component_collection.ipynb
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Expand Up @@ -67,7 +67,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -81,9 +81,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.14.4"
"version": "3.14.6"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
34 changes: 29 additions & 5 deletions docs/docs/tutorials/components.ipynb
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Expand Up @@ -39,7 +39,9 @@
"gaussian = sm.Gaussian(display_name='Gaussian', width=0.5, area=1)\n",
"dho = sm.DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)\n",
"lorentzian = sm.Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)\n",
"polynomial = sm.Polynomial(display_name='Polynomial', coefficients=[0.1, 0, 0.5]) # y=0.1+0.5*x^2\n",
"polynomial = sm.Polynomial(\n",
" display_name='Polynomial', coefficients=[-0.2, 0, 0.5]\n",
") # y=-0.2+0.5*x^2\n",
"exponential = sm.Exponential(display_name='Exponential', amplitude=1.0, rate=-0.5)\n",
"\n",
"x = np.linspace(-2, 2, 100)\n",
Expand All @@ -59,6 +61,18 @@
"plt.show()"
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "6db00a3e",
"metadata": {},
"outputs": [],
"source": [
"# Suppress the warning from the Polynomial:\n",
"polynomial.suppress_warnings = True\n",
"y = polynomial.evaluate(x)"
]
},
{
"cell_type": "code",
"execution_count": null,
Expand Down Expand Up @@ -119,6 +133,14 @@
"plt.show()"
]
},
{
"cell_type": "markdown",
"id": "11884136",
"metadata": {},
"source": [
"The `ExpressionComponent` can create almost any function you would like. Units are supported and must be given for each parameter either at construction as below, or afterwards as properties. The individual parameters can be accessed by their name in the usual way. You must use `x` fore the x-axis. It will warn if the units are not consistent."
]
},
{
"cell_type": "code",
"execution_count": null,
Expand All @@ -142,7 +164,9 @@
"plt.figure()\n",
"plt.plot(x, y, label='Expression Component')\n",
"plt.legend()\n",
"plt.show()"
"plt.show()\n",
"plt.xlabel('Energy (meV)')\n",
"plt.ylabel('Intensity (arb. units)')"
]
},
{
Expand Down Expand Up @@ -172,7 +196,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -186,9 +210,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.14.5"
"version": "3.14.6"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
10 changes: 5 additions & 5 deletions docs/docs/tutorials/convolution.ipynb
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Expand Up @@ -51,8 +51,8 @@
"sample_components.append_component(delta)\n",
"\n",
"resolution_components = sm.ComponentCollection()\n",
"resolution_gaussian = sm.Gaussian(display_name='Resolution Gaussian', width=0.015, area=0.8)\n",
"resolution_lorentzian = sm.Lorentzian(display_name='Resolution Lorentzian', width=0.025, area=0.2)\n",
"resolution_gaussian = sm.Gaussian(display_name='Resolution Gaussian', width=0.05, area=0.8)\n",
"resolution_lorentzian = sm.Lorentzian(display_name='Resolution Lorentzian', width=0.05, area=0.2)\n",
"resolution_components.append_component(resolution_gaussian)\n",
"resolution_components.append_component(resolution_lorentzian)\n",
"\n",
Expand Down Expand Up @@ -210,7 +210,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -224,9 +224,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.14.4"
"version": "3.14.6"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
8 changes: 4 additions & 4 deletions docs/docs/tutorials/data/create_fake_data.ipynb
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Expand Up @@ -59,7 +59,7 @@
"intensity_dataarray.values += noise\n",
"intensity_dataarray.variances = noise**2\n",
"\n",
"sc.io.save_hdf5(intensity_dataarray, 'fake_simple_data.hdf5')\n",
"# sc.io.save_hdf5(intensity_dataarray, 'fake_simple_data.hdf5')\n",
"pp.slicer(intensity_dataarray)"
]
},
Expand Down Expand Up @@ -105,14 +105,14 @@
"intensity_dataarray.values += noise\n",
"intensity_dataarray.variances = noise**2\n",
"\n",
"sc.io.save_hdf5(intensity_dataarray, 'fake_advanced_data.hdf5')\n",
"# sc.io.save_hdf5(intensity_dataarray, 'fake_advanced_data.hdf5')\n",
"pp.slicer(intensity_dataarray)"
]
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -126,7 +126,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.14.4"
"version": "3.14.6"
}
},
"nbformat": 4,
Expand Down
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27 changes: 23 additions & 4 deletions docs/docs/tutorials/delta_lorentz.ipynb
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Expand Up @@ -45,7 +45,7 @@
"energy = np.linspace(-2, 2, 501)\n",
"scale = 1.0\n",
"mean_u_squared = 0.5\n",
"A_0 = 0.2\n",
"A_0 = 0.01\n",
"lorentzian_width = 0.2\n",
"\n",
"diffusion_model = sm.DeltaLorentz(\n",
Expand All @@ -60,6 +60,25 @@
")"
]
},
{
"cell_type": "markdown",
"id": "0aee03b1",
"metadata": {},
"source": [
"Both `A_0` and `lorentzian_width` are here allowed to vary with Q. We here change a few of them just to show how this impacts the model. The `# noqa` comment is because we are accessing private members of the model (ones beginning with `_`), which is generally discouraged. Because of these changes, in the figure below, the delta function at Q=1.25 Å^-1 is much larger than the other ones, and the Lorentzian at Q=1.75 Å^-1 is much narrower and taller than the other ones."
]
},
{
"cell_type": "code",
"execution_count": null,
"id": "2b9d4113",
"metadata": {},
"outputs": [],
"source": [
"diffusion_model._A_0_list[3].value = 0.02 # noqa\n",
"diffusion_model._lorentzian_width_list[5].value = 0.1 # noqa"
]
},
{
"cell_type": "code",
"execution_count": null,
Expand Down Expand Up @@ -96,7 +115,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -110,9 +129,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.14.4"
"version": "3.14.6"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
4 changes: 2 additions & 2 deletions docs/docs/tutorials/detailed_balance.ipynb
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Expand Up @@ -86,7 +86,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "easydynamics_newbase",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -100,7 +100,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.12.12"
"version": "3.14.6"
}
},
"nbformat": 4,
Expand Down
6 changes: 3 additions & 3 deletions docs/docs/tutorials/diffusion_model.ipynb
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Expand Up @@ -85,7 +85,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -99,9 +99,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.14.4"
"version": "3.14.6"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
8 changes: 4 additions & 4 deletions docs/docs/tutorials/experiment.ipynb
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Expand Up @@ -70,9 +70,9 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python (Pixi)",
"display_name": "default",
"language": "python",
"name": "pixi-kernel-python3"
"name": "python3"
},
"language_info": {
"codemirror_mode": {
Expand All @@ -84,9 +84,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.12.12"
"version": "3.14.6"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
6 changes: 3 additions & 3 deletions docs/docs/tutorials/instrument_model.ipynb
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Expand Up @@ -75,7 +75,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "easydynamics_newbase",
"display_name": "default",
"language": "python",
"name": "python3"
},
Expand All @@ -89,9 +89,9 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.12.12"
"version": "3.14.6"
}
},
"nbformat": 4,
"nbformat_minor": 5
}
}
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