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Merged
merged 11 commits into from
Nov 21, 2024
Merged

Lib supporting Qt6 version of the app #203

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21c958d
180 extract functionality from sample in easyreflectometryappproxiesm…
andped10 Sep 20, 2024
2c4bc50
data folder (#187)
andped10 Sep 24, 2024
9a0b0cb
184 extract functionality from easyreflectometryapp proxies material …
andped10 Sep 25, 2024
a0b0df6
handle empty sample (#188)
andped10 Sep 25, 2024
14d172f
Extract functionality for creating and manipulating a project should …
andped10 Oct 1, 2024
0601013
Project adjustments (#190)
andped10 Oct 3, 2024
dc2ea11
191 adjust model and modelcollection to hold functionality from app (…
andped10 Oct 11, 2024
d6a661a
194 pass real reflectivity and sld data from the project method expos…
andped10 Oct 21, 2024
e95df0f
197 add experiment data to project in order for this to be exposed to…
andped10 Oct 25, 2024
e64c4b4
199 make fitter a part of project (#200)
andped10 Nov 15, 2024
0cd7dcb
201 move reporting to the lib (#202)
andped10 Nov 21, 2024
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21 changes: 11 additions & 10 deletions docs/src/tutorials/fitting/repeating.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -26,7 +26,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 1,
"id": "29d5d62d-af4a-416d-bbe2-1338d32b30f5",
"metadata": {},
"outputs": [],
Expand All @@ -45,8 +45,9 @@
"from easyreflectometry.sample import Sample\n",
"from easyreflectometry.sample import Material\n",
"from easyreflectometry.sample import RepeatingMultilayer\n",
"from easyreflectometry.experiment import Model\n",
"from easyreflectometry.experiment import PercentageFhwm\n",
"from easyreflectometry.sample import Multilayer\n",
"from easyreflectometry.model import Model\n",
"from easyreflectometry.model import PercentageFhwm\n",
"from easyreflectometry.calculators import CalculatorFactory\n",
"from easyreflectometry.fitting import Fitter\n",
"from easyreflectometry.plot import plot\n",
Expand Down Expand Up @@ -87,7 +88,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 3,
"id": "7121c7e9",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -141,7 +142,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 5,
"id": "0f95d620-35b7-4b47-a3b4-9e33d5525b50",
"metadata": {},
"outputs": [],
Expand All @@ -154,7 +155,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 6,
"id": "9a0b37ed-8714-4614-b49f-1e86ac232ac1",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -195,13 +196,13 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 8,
"id": "fed8d60f-a4a7-40f1-8063-eb975bfa6115",
"metadata": {},
"outputs": [],
"source": [
"resolution_function = PercentageFhwm(0)\n",
"sample = Sample(superphase, rep_multilayer, subphase, name='Multilayer Structure')\n",
"sample = Sample(Multilayer(superphase), rep_multilayer, Multilayer(subphase), name='Multilayer Structure')\n",
"model = Model(\n",
" sample=sample,\n",
" scale=1,\n",
Expand All @@ -221,7 +222,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 9,
"id": "db1e3df9-d0fa-421a-a959-a8b2fe483310",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -340,7 +341,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.9"
"version": "3.12.5"
}
},
"nbformat": 4,
Expand Down
32 changes: 16 additions & 16 deletions docs/src/tutorials/fitting/simple_fitting.ipynb
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Expand Up @@ -22,7 +22,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 1,
"id": "f026d35c-6a4a-4e9d-889c-d23ea6ee7adc",
"metadata": {},
"outputs": [],
Expand All @@ -39,8 +39,8 @@
"from easyreflectometry.sample import Sample\n",
"from easyreflectometry.sample import Material\n",
"from easyreflectometry.sample import Multilayer\n",
"from easyreflectometry.experiment import Model\n",
"from easyreflectometry.experiment import PercentageFhwm\n",
"from easyreflectometry.model import Model\n",
"from easyreflectometry.model import PercentageFhwm\n",
"from easyreflectometry.calculators import CalculatorFactory\n",
"from easyreflectometry.fitting import Fitter\n",
"from easyreflectometry.plot import plot"
Expand Down Expand Up @@ -79,7 +79,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 3,
"id": "7d851064-605c-4f80-a510-197bcdbff2ea",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -157,7 +157,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 6,
"id": "1fd5d9ba-a912-40f1-96a9-8d8d85c35c18",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -196,7 +196,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 8,
"id": "bfd2d8a1-35fe-4a6c-aeee-93f1b4066b61",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -235,7 +235,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 10,
"id": "a6508395-d292-4338-9fbe-77e19b011ae6",
"metadata": {},
"outputs": [],
Expand All @@ -253,12 +253,12 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 11,
"id": "2a0aee2a-e77e-4558-a8b0-ef2d1cffd4d0",
"metadata": {},
"outputs": [],
"source": [
"sample = Sample(superphase, film_layer, subphase, name='Film Structure')"
"sample = Sample(superphase, Multilayer(film_layer), Multilayer(subphase), name='Film Structure')"
]
},
{
Expand Down Expand Up @@ -301,7 +301,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 13,
"id": "8646c977-28b4-4cd4-adbd-fc263359ca1c",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -347,7 +347,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 18,
"id": "a4d3eae5-ec8d-4a7f-91ef-fcce3cc5a5ed",
"metadata": {},
"outputs": [],
Expand All @@ -373,7 +373,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 19,
"id": "7e2d7b81-7b49-4831-9508-75e0e234f15f",
"metadata": {},
"outputs": [],
Expand All @@ -400,7 +400,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 20,
"id": "cdbe172a-1283-4cdc-8fb2-d3383b8d21b3",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -439,7 +439,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 22,
"id": "3648873e-16bb-449d-b90d-8b1bd4f05eb6",
"metadata": {},
"outputs": [],
Expand All @@ -458,7 +458,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 23,
"id": "9762fc0b-c4c2-4f92-8560-079ea248dfca",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -537,7 +537,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.9"
"version": "3.12.5"
}
},
"nbformat": 4,
Expand Down
38 changes: 19 additions & 19 deletions docs/src/tutorials/magnetism.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -22,7 +22,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 1,
"id": "29d5d62d-af4a-416d-bbe2-1338d32b30f5",
"metadata": {},
"outputs": [],
Expand All @@ -38,8 +38,8 @@
"import easyreflectometry\n",
"\n",
"from easyreflectometry.calculators import CalculatorFactory\n",
"from easyreflectometry.experiment import Model\n",
"from easyreflectometry.experiment import PercentageFhwm\n",
"from easyreflectometry.model import Model\n",
"from easyreflectometry.model import PercentageFhwm\n",
"from easyreflectometry.sample import Layer\n",
"from easyreflectometry.sample import Material\n",
"from easyreflectometry.sample import Multilayer\n",
Expand Down Expand Up @@ -91,7 +91,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 3,
"id": "0f95d620-35b7-4b47-a3b4-9e33d5525b50",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -119,13 +119,13 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 4,
"id": "2af8c30b",
"metadata": {},
"outputs": [],
"source": [
"two_layers = Multilayer([sld_4_layer, sld_8_layer], name='SLD 4/8 Layer')\n",
"sample = Sample(superphase, two_layers, subphase, name='Two Layer Sample')\n",
"sample = Sample(Multilayer(superphase), two_layers, Multilayer(subphase), name='Two Layer Sample')\n",
"model = Model(\n",
" sample=sample,\n",
" scale=1,\n",
Expand All @@ -144,7 +144,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 5,
"id": "b0259cd0",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -175,7 +175,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 6,
"id": "f1500603-d85d-4e16-b697-e1bf16502991",
"metadata": {},
"outputs": [],
Expand All @@ -194,7 +194,7 @@
},
{
"cell_type": "code",
"execution_count": null,
"execution_count": 7,
"id": "18010202",
"metadata": {},
"outputs": [],
Expand Down Expand Up @@ -248,7 +248,7 @@
"model.resolution_function = PercentageFhwm(0)\n",
"model_interface = model.interface()\n",
"model_interface.magnetism = False\n",
"model_data_no_magnetism_ref1d_easy = model.interface().fit_func(\n",
"model_data_no_magnetism_ref1d_easy = model.interface().reflectity_profile(\n",
" model_coords,\n",
" model.unique_name,\n",
")\n",
Expand Down Expand Up @@ -278,7 +278,7 @@
"model.interface = interface\n",
"model_interface = model.interface()\n",
"model_interface.include_magnetism = True\n",
"model_data_magnetism = model.interface().fit_func(\n",
"model_data_magnetism = model.interface().reflectity_profile(\n",
" model_coords,\n",
" model.unique_name,\n",
")\n",
Expand All @@ -291,7 +291,7 @@
"model_interface.include_magnetism = True\n",
"model_interface._wrapper.update_layer(list(model_interface._wrapper.storage['layer'].keys())[1], magnetism_rhoM=10, magnetism_thetaM=70)\n",
"model_interface._wrapper.update_layer(list(model_interface._wrapper.storage['layer'].keys())[2], magnetism_rhoM=5, magnetism_thetaM=175)\n",
"model_data_magnetism_layer_1 = model.interface().fit_func(\n",
"model_data_magnetism_layer_1 = model.interface().reflectity_profile(\n",
" model_coords,\n",
" model.unique_name,\n",
")\n",
Expand Down Expand Up @@ -351,7 +351,7 @@
"model_interface.include_magnetism = True\n",
"model_interface._wrapper.update_layer(list(model_interface._wrapper.storage['layer'].keys())[1], magnetism_rhoM=10, magnetism_thetaM=70)\n",
"model_interface._wrapper.update_layer(list(model_interface._wrapper.storage['layer'].keys())[2], magnetism_rhoM=5, magnetism_thetaM=175)\n",
"model_data_magnetism_easy = model.interface().fit_func(\n",
"model_data_magnetism_easy = model.interface().reflectity_profile(\n",
" model_coords,\n",
" model.unique_name,\n",
")\n",
Expand Down Expand Up @@ -474,7 +474,7 @@
"interface.switch('refnx')\n",
"model.interface = interface\n",
"model_interface = model.interface()\n",
"model_data_no_magnetism_refnx = model.interface().fit_func(\n",
"model_data_no_magnetism_refnx = model.interface().reflectity_profile(\n",
" model_coords,\n",
" model.unique_name,\n",
")\n",
Expand All @@ -484,7 +484,7 @@
"interface.switch('refl1d')\n",
"model.interface = interface\n",
"model_interface = model.interface()\n",
"model_data_no_magnetism_ref1d = model.interface().fit_func(\n",
"model_data_no_magnetism_ref1d = model.interface().reflectity_profile(\n",
" model_coords,\n",
" model.unique_name,\n",
")\n",
Expand Down Expand Up @@ -514,7 +514,7 @@
"model.interface = interface\n",
"model_interface = model.interface()\n",
"model_interface.magnetism = True\n",
"model_data_magnetism = model.interface().fit_func(\n",
"model_data_magnetism = model.interface().reflectity_profile(\n",
" model_coords,\n",
" model.unique_name,\n",
")\n",
Expand All @@ -525,7 +525,7 @@
"model.interface = interface\n",
"model_interface = model.interface()\n",
"model_interface.magnetism = False\n",
"model_data_no_magnetism = model.interface().fit_func(\n",
"model_data_no_magnetism = model.interface().reflectity_profile(\n",
" model_coords,\n",
" model.unique_name,\n",
")\n",
Expand Down Expand Up @@ -555,7 +555,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "erl_311",
"display_name": "Python 3",
"language": "python",
"name": "python3"
},
Expand All @@ -569,7 +569,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.9"
"version": "3.11.10"
}
},
"nbformat": 4,
Expand Down
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