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RATapi/examples/absorption/absorption.ipynb

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RATapi/examples/convert_rascal_project/convert_rascal.ipynb

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{
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"cells": [
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{
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"cell_type": "code",
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"execution_count": null,
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"metadata": {},
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"outputs": [],
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"source": [
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"# Convert between RasCAL1 and RAT"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"RasCAL1 (R1) project structs can be converted to RAT `Project` classes, and vice versa.\n",
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"This is done via the functions `r1_to_project_class` and `project_class_to_r1`."
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"### RasCAL1 to RAT\n",
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"### RasCAL-1 to RAT\n",
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"\n",
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"RasCAL-1 (R1) project structs can be converted to RAT Project classes, and vice versa. This is done via the functions r1_to_project_class and project_class_to_r1.\n",
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"\n",
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"Converting from R1 to a `Project` is very simple. We use the example R1 project in the file `R1monolayerVolumeModel.mat`, which is a project for analysing a monolayer of DSPC with various deuterations (tail-deuterated, head-deuterated, fully deuterated, hydrogenated)"
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},
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"Note that there are various features of RAT which do not feature in R1, such as `prior_type`, `mu` and `sigma` for parameters. These are given sensible default values (again e.g. for parameters, `prior_type = uniform`, `mu = 0.0`, `sigma=inf`), but you may change these if you would like to use these new features:"
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"Note that there are various features of RAT which do not feature in RasCAL-1, such as `prior_type`, `mu` and `sigma` for parameters. These are given sensible default values (again e.g. for parameters, `prior_type = uniform`, `mu = 0.0`, `sigma=inf`), but you may change these if you would like to use these new features:"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"### RAT to RasCAL1\n",
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"### RAT to RasCAL-1\n",
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"\n",
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"To demonstrate the other way around, we will use the DSPC lipid bilayer model project from another tutorial."
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]

RATapi/examples/domains/.ipynb_checkpoints/domains_standard_layers-checkpoint.ipynb

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RATapi/examples/domains/domains_custom_XY.ipynb

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RATapi/examples/domains/domains_custom_layers.ipynb

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RATapi/examples/domains/domains_standard_layers.ipynb

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" Parameter(name=\"L1 SLD\", min=3.0e-6, value=4.1e-6, max=5.0e-6, fit=False),\n",
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" Parameter(name=\"L1 Roughness\", min=2.0, value=5.0, max=20.0, fit=True),\n",
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" Parameter(name=\"L1 Hydration\", min=10.0, value=20.0, max=30.0, fit=True),\n",
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" #\n",
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" Parameter(name=\"L2 Thickness\", min=5.0, value=60.0, max=100.0, fit=True),\n",
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" Parameter(name=\"L2 SLD\", min=2.1e-6, value=3.0e-6, max=5.0e-6, fit=False),\n",
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" Parameter(name=\"L2 Roughness\", min=2.0, value=5.0, max=20.0, fit=True),\n",
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" Parameter(name=\"L2 Hydration\", min=10.0, value=20.0, max=30.0, fit=True),\n",
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" #\n",
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" Parameter(name=\"L3 Thickness\", min=5.0, value=200.0, max=300.0, fit=True),\n",
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" Parameter(name=\"L3 SLD\", min=3.0e-6, value=7.0e-6, max=8.0e-6, fit=False),\n",
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" Parameter(name=\"L3 Roughness\", min=2.0, value=5.0, max=20.0, fit=True),\n",

RATapi/examples/non_polarised/.ipynb_checkpoints/DSPC_custom_layers-checkpoint.ipynb

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RATapi/examples/non_polarised/.ipynb_checkpoints/DSPC_custom_xy-checkpoint.ipynb

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"id": "b1fe7c6e-2200-4c83-9485-ec3590e950d5",
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"metadata": {},
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"source": [
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"Need to add the relevant Bulk SLD's. Change the bulk in from air to silicon, and add two additional water contrasts:"
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"Need to add the relevant Bulk SLDs. Change the bulk in from air to silicon, and add two additional water contrasts:"
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]
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{
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"\n",
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"\n",
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"Running Differential Evolution\n",
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"\n"
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]
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"name": "stderr",
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"text": []
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"text": [
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"\n",
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"Final chi squared is 8.39155\n",
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"Elapsed time is 103.555 seconds\n",
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"Elapsed time is 119.992 seconds\n",
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"\n",
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"Finished RAT ───────────────────────────────────────────────────────────────────────────────────────────────────────────\n",
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"\n"

RATapi/examples/non_polarised/.ipynb_checkpoints/DSPC_standard_layers-checkpoint.ipynb

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RATapi/examples/non_polarised/DSPC_custom_layers.ipynb

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