add the TTfinder notebook

Author: jonwright

ImageD11/sandbox/TTfinder.ipynb

@@ -0,0 +1,123 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "mapfile = \"../../test/makemap/map.ubi\"\n",
+    "energy = 37.0 # keV\n",
+    "wavelength = 12.3984 / energy\n",
+    "symmetry = 2    # space group number\n",
+    "# ID11 Huber tower:\n",
+    "diffrymax = 11  # degrees\n",
+    "rxlim = 15\n",
+    "rylim = 20"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from ImageD11 import grain, unitcell, parameters\n",
+    "import numpy as np\n",
+    "\n",
+    "from scipy.spatial.transform import Rotation\n",
+    "\n",
+    "def tilt_grain( gvec ):\n",
+    "    \"\"\"Solves to put gvec along rotation axis\"\"\"\n",
+    "    phix = np.arctan2( gvec[1], gvec[2] )\n",
+    "    Rx = Rotation.from_euler( 'XYZ', (phix,0,0) )\n",
+    "    grot = Rx.apply( gvec )\n",
+    "    phiy = np.arctan2( -grot[0], grot[2] )\n",
+    "    return np.degrees( phix ), np.degrees( phiy )"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# read the grains and determine the max tilt of the base to give a dsmax\n",
+    "grains = grain.read_grain_file(mapfile)\n",
+    "sinthlmax = np.sin( np.radians(diffrymax) ) / wavelength\n",
+    "dsmax = 2*sinthlmax\n",
+    "print(dsmax)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# generate reflections, assuming all grains have the same symmetry\n",
+    "g = grains[0]\n",
+    "uc = unitcell.unitcell( g.unitcell, symmetry )\n",
+    "pks = uc.gethkls( dsmax )\n",
+    "hkls = np.array( [p[1] for p in pks ] , int)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# sort by size if you want to\n",
+    "# order = np.argsort([float(g.intensity_info.split()[2]) for g in grains])\n",
+    "print(\"Warning: needs to be re-tested, last used in 2022 !!\\n\")\n",
+    "for i in range(len(grains)):\n",
+    "    g = grains[i]\n",
+    "    print(\"\\n\".join( [\"Grain: \"+str(i),\"UBI: \"+str(g.ubi), 'Rod: '+str(g.Rod), \"Cell: \"+str(g.unitcell) ] ) )\n",
+    "    print('   h    k    l    d*       theta      rx       ry ')\n",
+    "    for hkl in hkls:\n",
+    "        gvec = np.dot( g.UB, hkl )\n",
+    "        ds = np.sqrt((gvec**2).sum())\n",
+    "        rx, ry = tilt_grain( gvec )\n",
+    "        if abs(rx)<rxlim and abs(ry)<rylim:\n",
+    "            print(('%4d '*3)%tuple(hkl), ('% 9.5f '*4)%(ds, np.degrees(np.arcsin( ds * wavelength / 2)), rx, ry))\n",
+    "    print()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (main)",
+   "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": "3.12.9"
+  },
+  "widgets": {
+   "application/vnd.jupyter.widget-state+json": {
+    "state": {},
+    "version_major": 2,
+    "version_minor": 0
+   }
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 4
+}