{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "7824f861",
   "metadata": {},
   "source": [
    "# Tensor scattering simulation examples\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4b05f5ce",
   "metadata": {},
   "source": [
    "### Run standard test (no CIF file)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "5818469c",
   "metadata": {},
   "outputs": [],
   "source": [
    "run 'TensorScatteringClass'"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "abb13819",
   "metadata": {},
   "source": [
    "### Example simulation (needs CIF file)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "48bc8712",
   "metadata": {},
   "outputs": [],
   "source": [
    "import TensorScatteringClass as ten\n",
    "import numpy as np\n",
    "#cifpath = '/home/spc93/spc_cifs/'\n",
    "cifpath = ''\n",
    "ciffile=cifpath+'MnF2.cif'\n",
    "en = MnK = 6.539\n",
    "t=ten.TensorScatteringClass(CIFfile=ciffile, Site='Mn1');\n",
    "\n",
    "#non-resonant magnetic scattering and resonant scattering \n",
    "\n",
    "hkln = hkln=np.array([1,0,0])\n",
    "for ref in [[0,0,3], [0,3,0], [0,2,3], [0,3,2]]:\n",
    "    ref = np.array(ref)\n",
    "    t.PlotIntensityInPolarizationChannels('NonResMag', lam=12.4/en, hkl = ref, hkln = hkln, lk=np.array([0,0,0]), sk=np.array([0,0,1]), sigmapi='sigma'); print('=== tth: %.2f deg' % (t.theta * 2 *180./np.pi))\n",
    "    t.PlotIntensityInPolarizationChannels('E1E1', lam=12.4/en, hkl = ref, hkln = hkln, K=2, Time=1, Parity=1, mk=None, lk=None, sk=None, sigmapi='sigma'); print('=== tth: %.2f deg' % (t.theta * 2 *180./np.pi))\n",
    "    t.print_tensors()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "1d43a09c",
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "606d1561",
   "metadata": {},
   "outputs": [],
   "source": []
  }
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