Test_react.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Test react"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import os\n",
    "import unittest\n",
    "\n",
    "from rmgpy import settings\n",
    "from rmgpy.species import Species\n",
    "from rmgpy.data.rmg import RMGDatabase\n",
    "\n",
    "import afm.react\n",
    "import afm.fragment "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "# load kinetics database\n",
    "db_path = settings['database.directory']\n",
    "database = RMGDatabase()\n",
    "\n",
    "# forbidden structure loading\n",
    "database.loadForbiddenStructures(os.path.join(db_path, 'forbiddenStructures.py'))\n",
    "# kinetics family loading\n",
    "database.loadKinetics(os.path.join(db_path, 'kinetics'),\n",
    "                           kineticsFamilies='default',\n",
    "                           reactionLibraries=[]\n",
    "                           )\n",
    "\n",
    "#    def test_react_fragments1(self):\n",
    "\n",
    "frag1 = afm.fragment.Fragment(label='frag1').from_SMILES_like_string('c1ccccc1CCCR')\n",
    "fragment_tuple = (frag1, )\n",
    "reactions = afm.react.react_fragments(database.kinetics, \n",
    "                                              fragment_tuple,\n",
    "                                              only_families=['R_Recombination'],\n",
    "                                              prod_resonance=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(reactions)==28"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "#    def test_react_fragments2(self):\n",
    "\n",
    "frag1 = afm.fragment.Fragment(label='frag1').from_SMILES_like_string('c1ccccc1CCCR')\n",
    "frag2 = afm.fragment.Fragment(label='frag2').from_SMILES_like_string('[CH2]CR')\n",
    "fragment_tuple = (frag1, frag2)\n",
    "reactions = afm.react.react_fragments(database.kinetics, \n",
    "                                      fragment_tuple,\n",
    "                                      only_families=['H_Abstraction'],\n",
    "                                      prod_resonance=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(reactions)==11"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "frag1 + frag2 <=>  + \n"
     ]
    }
   ],
   "source": [
    "print reactions[0]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<afm.fragment.Fragment at 0x7fcd1c185e10>"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "frag1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<afm.fragment.Fragment at 0x7fcd1b311280>"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "frag2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1acc53c0>, <afm.fragment.Fragment object at 0x7fcd1acc5780>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1acc5780>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1acc53c0>]], family='H_Abstraction', template=['C/H2/NonDeC', 'C_rad/H2/Cs'])"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "reactions[0]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1acb7e10>, <afm.fragment.Fragment object at 0x7fcd1b3151e0>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b3151e0>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1acb7e10>]], family='H_Abstraction', template=['C/H2/NonDeC', 'C_rad/H2/Cs'])"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "reactions[1]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "frag1 + frag2 <=>  + \n"
     ]
    }
   ],
   "source": [
    "print reactions[1]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "iVBORw0KGgoAAAANSUhEUgAAAcsAAAAxCAIAAAA6HhXbAAAABmJLR0QA/wD/AP+gvaeTAAAdQElEQVR4nO2deTzU+R/Hv4Pcco4j40hG5dpfKcJmUa5oRRjlqsSuI1I5Hl2U3W1rt9KBSIcUMeTa2vx2VVKOkORIkXGMs8YVgzm+398f336zVi3DHNn6Ph/+MPP9zvvznpnvvL7vz/v9OVAQBAEICAgICByA51M7gICAgPDZwjaFbWtr++WXXzQ1NWVlZYlEIrvMIiAgzDdGRkby8/M9PDxkZWVjY2OHhoY+tUfzFz4WX9/Z2ZmZmYnH4xsbGzds2HD8+PHm5mZDQ8O8vLwVK1awxUUEBIT5wMTERHl5eXZ2dl5eHgaDsbe337Jly/HjxwcGBr777js0Gv2pHZyPzFFhSSTS7du38Xh8WVmZjY1NeHi4tbX1ggUL4KOqqqpWVlbJyck2NjbscxUBAeETwBDWnJwcOTk5JyenP//8U0lJiY+PDwAAXV3dgICA7u7uiIgIJSWlT+3svAM1q0pXf3//b7/9hsfjS0tLN2zY4OzsbGVlxc/PDx+FIOj27du2trYoFKqsrMzR0TEqKsrX15czniMgIHAQhrDm5uZKSEjY2tpu2bIFi8XCgdTExERpaSkWi5WXlx8cHAwODqbRaFFRURoaGjw8SHVnEhAT9Pf3Jycn29nZLVy40M7OLjk5eXR09MPTqFSqgYHB9u3bKRQKBEHNzc1YLDY8PBwEQWZaQUBA+ORMTEwUFRXt3r1bTU1txYoVBw8erKurm5iYgI+Oj4/fv38/MDBQVVXVyMioqKgIPkQmk/fs2WNlZfXkyRMqlfpJ38H8YroYdmhoKDc3F4/HP3z40MTExNnZ2dHRUVRUdBq9Hh8f9/LyIpFIWVlZ4uLiJBLJ3t4ei8UmJiYycggICAjzDTqdXltbm5eXl56eLigouGHDBhwOp6GhAfdQ4aOZmZnp6eliYmK2traurq5YLJbRf4XPOXXqVG5ubmRkpImJiYCAwKd7N/OIjygsiUS6e/duRkZGUVGRubk5Doezs7MTERFh0iKdTt+9e/eDBw/u3LmjpKREJpNdXV3HxsaysrIWLlzIbv8REBDmDpVKrayszM3Nzc7OFhUVtbOzc3JyWrp06WRhnSy7Li4ujKMfJSMj48yZM3v37rW2thYWFubiW5mvfBjWysrKmpmZXb9+fXh4eM6xcUxMDAaDqa6uhiCIRqMFBATo6Oi0t7fP2eAU6HT6/fv3LSwszp49yy6bCAhfGvv27Vu+fPm+ffuePn06Pj4OP0mn0589e3bkyBFNTU0sFrtnz57q6mrG0RkpLCw0NDRMTEwcHBxkl58EAiEqKmrLli0vXrz4d2UdpyrsxMSEiIgImUxm3XRmZiYajf7999/hh7DmPnv2jBWbdDq9uLh4165dCgoKK1euDA4OVlBQOH/+POveIiB8gQQEBFy6dGlgYACaJKza2toaGhoBAQElJSVjY2NzMFtRUWFsbPzjjz/29fWx4l57e3t8fLypqamqqqqrq6uJiYmDg0N9fT2dTmfFLDeZqrAVFRW6uroQBIEguHfvXhatl5SULFq0KCUlBX4Ia+7du3fnYKquri4yMnLJkiWampqRkZGNjY3w8wQCYfny5UFBQf+iDx0BYT4AgqCFhcXdu3cpFEpaWtqqVau0tLT27dv35MmTuQnrZF6/fm1tbe3n5zeHnmt3d/e1a9e+/fZbDAZjZ2d348aN/v5+EAQnJiYOHjxoaWlZWlr6b6mnTVXYCxcubN++HYKgpqYmZWVl1htoamrCYrGRkZHww8ePH0/W3BmBhRWLxS5evDg8PLyhoeHDc/r7+7/55pvNmzezJfRGQPhCaG9vt7GxqayshCCotra2vr6evb+gN2/ebN261dXVtbGxkZmufW9v72RhvXz5cl9fH+OFExMTAwMDFArl4sWLJiYmd+7cYf02wAWmKqyPjw/c6b5586aDgwNb2uju7l61ahVjFFd9fb2qqipDcz8KLKxLly5VUVEJCgoqLi6evonx8fGtW7caGhq+efOGLT4jIHz2/Pe///Xx8Xnx4gXnmhgdHQ0ODt64cWN1dTWNRvvoOQMDA3g8ftOmTQxh7e3t/bBL+v3336PR6D/++INKpaanp69evfr69evv3r3jnPNsYarCrly5srS0FIKg0NDQH374gV3NjIyM2NnZWVhYDA0NQRDU3d2tp6e3Y8eOKaF+S0vLzz//vHz5cmVlZVhYmc9qgyAYGRmprq7e1NTELre/cEAQJJFIlZWV1dXV/f39SB5mDoAgSKPR6HT6PKzPnDt37siRIx0dHRxthUqlHjt2zNTU9MGDB3CMBTM0NJSXl+fl5aWqqgoLa09PzzTXWEpKire3d0NDA/xJFhUVGRgYxMTE9Pf3c9R/Fvmbwk5MTAgLC8OzCczNzRlFKrZAo9H8/Px0dXXhb3RkZMTW1tbS0nJ4eJhAIMTExBgbG2MwmNkK6xQuXryIwWDgjg8CK4yOjr548SIhIWHjxo1OTk4JCQk1NTUjIyPzUCmYhEanUelU+I9Gp4EgyOn3AoLg+Pj4wYMHMzMzBwYGYJ2dPx9gYGDgpUuXuKNQ165dMzQ0vHXrVm9vLyysGAxm7dq158+f7+rqmtvNu66uztTU9MCBA93d3Wx3mF38TWErKyt1dHQgCAJBUEpKqre3l+3txcTELF68GE6nUqlUd3d3fn7+RYsWBQUFPXr0iC0XX05ODhqNzs/PZ93UZPr7+48fP/5PPZ3PCQqF0traeuvWLT8/v+3bt2dnZ2dmZnp5efn6+mZkZDQ1NTE/cGdegcPjRH4U4T3CK31c2ua6TUVnBYVGmfllcwUEQSKR6O7urqenh8ViV69effLkSSKRSKVS54POTi5zcafF/Pz8pUuXioiIWFlZJSYmzllYJ0MkEu3t7Xfu3EkgENj4kVIolKysrKdPn7Ke6v2bwiYkJGzbtg2CoObmZiUlJRZN/xMpKSny8vJPnz6FIOj+/ftaWlps734+efJk0aJFcXFxrJsaGhq6du2anZ2duLg4nCcaGRlh3ez8hE6n9/b23rt3b//+/S4uLgkJCb29vfCF+/bt20uXLrm4uISEhBQUFPT09PxbirkMcHjcz8U/97zrIQ4T3bLc3LPcW/pbONEQCIJ0Ov3BgweGhoYBAQHt7e10Or28vNzHxweLxXp7e5eVlZHJ5E+bOujo6LC2tuZmb49KpcIVKvZq+uDgoLe3t4uLS0NDA4tKQqVSS0tLQ0ND1dXVVVRUVFVVc3JyWKz+/W2NhqqqKj09vcn/cAJ3d/esrCx49m1VVZW5uTnbl4pYvXr1o0ePzpw5ExwcDILgHCyMjY3l5+d7enouXrw4IyPD2dm5vb29tbUVg8GYmZn19vay12GYixcvnjlzhhOWmWF4ePjZs2c3bty4cOECPz9/dHS0t7e3rKwsCoUCAEBaWnrHjh0//fSThITEtWvXrl+/XllZOTg4OLeP91OBQqF4eXgXiS6yULN4Q35DppLZ3gT8Q01MTNy3b5+fn9+xY8eUlJR4eHj09fUTExMLCws1NTV9fHw2b96cmpo6MDDAEFm2tM78JdTY2IjBYJifq8k6LS0tkpKS8vLyCxYsqKmpGR4eZotZcXHx2NhYdXX1kJCQiooKGo02WwsgCNbU1Bw9evSrr77y9PQkk8kpKSmNjY3nz5//8ccfU1NTWXJ1stzq6emVlJRAEBQWFhYdHc2KcjPJli1brl69yiHjJBJp7dq1zs7OzIf6Y2NjeXl5Hh4e4uLixsbGCQkJH85LiYmJUVNT40QF9tixYwcOHGC72Rkhk8kvX75MSUnx9PT09/d//PjxNJ8YnU6vrKwMDAx0d3dPSkqqq6sbHR3lcixmZWV14sSJ2XYmcHjcseJj3e+6O4c73bLcnDKcmknN7HUMBMGuri4vLy9bW9uKiop/CvNHRkaysrLWr1+/cuXKo0ePtrS0UCiUyamDKcUxOp1Oo9GY+ZCZv4TOnz8fFRXF6TLXZHJzcwMCAl69etXV1WVtbV1RUcFG4zQa7ddffzUyMrp79y6TWayPzrCYErE+efLE2Nj42LFjcx6k9JfCwmUu+Kpdt27dnTt35mZxVmhoaNTW1nLO/vj4OA6HMzMzg2etTHMaLKwSEhLGxsYxMTHT56CTk5Pl5OSKiorY6y33FZZKpRKJxNzcXD8/P09Pz5ycHHiwx4yQyeT8/HwvLy8/P7+srKzW1lbG8ktcoKGhwcPDQ05OLjIykkmHoUl5WN4jvJqxmkWtRRM0tvkMZwZKS0tNTEwCAwPb29tnFEQ4dRAYGLhkyRI3N7fHjx/D9yoQBHE43PHjxxm/6oKCAnNz85qamhndYP4SCgwMTEpK4mYh/sSJE8eOHevq6rp37x48KoDtTaSnp+vr66empk5/9339+vXZs2f19fWXLl0aEBDw6NGjaVIBzc3NlpaWu3fvJhKJc3DpL4WtqqrS1taG/l/m4kJ5bmhoSEREhNPpPBAEw8PDtbS02traphyi0WjFxcW+vr6SkpKwsPb09DBptrCwUFZWNi0tjXUPHR0dpaWlpaWlhYWFhYSE4P+trKymecnLly8JBALjXj0wMPD8+fN/+rUMDg7W19c/evSouLi4qqqqu7sbToTBC4BGR0e7uLicPn2aSCTONhTt6+uLi4tzdXU9dOhQYWEh3Od9+fblw9aH9wn3H7Y9fNb9bGBsgA4ylR0bHh7unw2PHz+2trZGo9FMxrM4PO74o+N9o311fXVmV83SatNGJt6/isUqPzzdKD4+ftWqVcnJybNd0KOjo+PUqVPa2tpmZmbwlNDZKuxsLyEQBK2srLhZ5oIgaMeOHSkpKUNDQ3FxcYcPH2bjKiWTuXfvnoGBwdmzZz/8OcDCumbNmmXLlgUEBBQXF390FdYP6evrc3V19fLyam5unu1F8tceB4zcK4FAEBYWlpeXn3vqgTmqq6t1dXXhldI5BwqF+vnnnxUUFIyMjPLz81esWAHHGng8Pj09XV1d3dnZub6+XkFBYVZmzc3NCwsL7ezsGhsbo6KiWPEwISFhfHwcAIC4uLjR0dHQ0FAAAKZf/C0mJkZWVnbnzp0YDAYAgOfPn//6668hISFmZmZTzoQXTb93715nZycvL6+MjMzXX3+9adMmeXn54eHhjIwMQUHBqKgoLBY7hy8CjUb7+flZWFikpKQkJSUFBwevWrUqpizmQesDcQFxUQFRIT6hLdpbbLA2EoISM1rbtGlTdXX1bH0YHBwMCwvLy8u7c+eOmJjYjOejAJQWWstXzze1NlVHTkdTRhMAgLi4OH19fR0dHQEBARQKBaeemQSCoJ6env379xOJxLNnz65atWq2C3ViMJiQkJDvvvvu7t270tLSs2odZraXUGdnJwqFkpaW5tqaojQajUAguLu7i4iIvHz5UktLa/p1UOeMmZnZxYsXg4KChoaG4L1tWlpabt++ffPmze7ubmNj48OHD69du3ZWraPR6MTExNDQ0JCQkOjoaG1tbV5eXiZf+xGF5WiZazJcawgAgODgYEVFRUtLS0NDw7KyMnV1dRwOV1VVpaioOGeb2traJSUldnZ2AwMDp0+fnnO9TkZGBv5n4cKFPDw8sGiyBRAEc3Nz09LSLC0tDxw4ICsrSyAQKisryWQyAAASEhJ79+4VFxdncZU5dXX1w4cPl5eXq6iowFees6az90pvEX6RkyUncxpzlsksW6Ew86ZthYWFs2r30aNHUVFRLS0tERERO3bsmNUdwn6ZfdLTpIdtDzFiGNEFohQKBa5qurm5bdiwQUJCApa56cUODlIqKirCwsJ0dXUvX76MwWDmoI8wwsLCjo6OjIdw2gGu28Al8mleO9tL6OXLlxgMhkMa91FaWloWLlwoISHBy8v76tUrKysrzhXZdHR0rly54u/vX1BQMDQ0RCaTzc3Njx49umbNmjk3KiYmdu7cuR9++CE4OPjo0aOGhoZM3pz+prCenp4AdxXWwsKCCw3BODk50Wi0oqKiyspKZWVltthctGjRw4cPnZ2dN2/efOPGjfm2IObw8HB2drahoaG7uzvcKfnPf/7z1VdfwUf5+PhmG7n/E7y8vEZGRoyHKBSKB8WzkH+hmqRa/Zv6cdo4W1phMDdt5UXx8qDe3wWF+IRctFx+e/Wbqarpcpnle/bsgUPI+Pj4mJgYe3t7Dw8PRUVF2PJHRROCIBqNdvny5aSkpMDAQEdHR2YiaOY5efLkyZMn4ds2hUKRlJRko3FYYbk5kICh6d3d3XQ6HY1GT7PILOuoqqpeunTpxIkT33zzzfr169lyL1mwYEFUVNSlS5fCw8MjIiIsLS2FhIRmfNX7S5NCoTQ0NMC/vaqqqpCQENYdmpGqqqqIiAguNMTA1dXV1dWVvTZFRUXz8/P9/f3Nzc3z8vJkZWXZa/+f6OzsrKioaGtrAwCgtrZ2ZGTkw3Pa29tJJJKuri4jxgFmisvYQsdQRymxlJ+H/x7h3iKxRVJCUuy1n5SUtG3bti1btjDfWQMA4MbmG5Mf+ur5+ur9tYmciIjI5s2bHRwcKisrk5KSLC0tTUxMfHx8dHR0BAUFp6QOIAh6+/btwYMHW1pazpw5s3r1arZ3t7///nsXFxdYWB8+fJiQkMBG442Njbq6utyMYRmDw7g2SkxBQeH06dPstYlCoXbu3CknJxcdHU0ikZycnGbcVeC9wtbX1y9evFhERASCoOrq6pUrV7LXsw8ZGRnp7Oxcvnw5pxviAnx8fAkJCUeOHDE2Nn727Nmcr55Z3W/KysqampoEBQUBABgYGHj37h0AAKOjox0dHWQyWVhYWElJaWJiAoVCCQgIcHlzulJiacPbBhACKXTKwbUHlcXZ02NgcPXqVfYaZAAPXNXX1ycSiRkZGfCI4O3bt9va2jJSBxAEVVZWhoaGsp4ZmAYxMTEFBQX41igjI8NknM7MJQRB0KtXr2xsbLgcw5qamoqKinI/QcF2Nm7cKCsru2/fPnhDnel7ru+/NkZmoLW1VVBQkAtlrqdPn2pra3O6zMU1UChUVFTUunXrREREtOO069/UAwAgIyyzXm197IZYtgdxAABs2LDBzc0N7uaXlpbGx8cDANDV1XXr1q3Ozk4IgrZv3y4hIbFgwYKenp6xsTHGzwnO6HE0knXRctm5cicIgT8V/9TU3zQwPiC0YOb+1LwCg8HAqYOCgoILFy6cPn3awcHB3d1dQUHh6tWrCQkJ/v7+Li4u4uLin9rTWdPV1QUAAKf76ZOh0WgtLS1bt26FY1gtLS1uijsnMDAwuHLlChqNFhQUdL/lfuvFrTHamLiAuKGSYbRZ9FdyXy3gfd+neR/afN5lLq6xdu1a+J/kTcnUQ9QnPk8IA4T9hfs50ZaQkJCUlBQajUaj0bCSAgAgJye3e/fuc+fOKSkptbe3S0tLa2trl5aWwou2UKnUwcFBAoEwOjrKCZemoCyuvFVna1V3VU1PDZVO5UKLbEdERMTR0bGgoCAuLq6jo2P9+vWamprp6enx8fHbtm3jnLzy8vJO7nagUCgeHh523RS5H0USCAQxMTFJSUleXt6mpqZ/ewwLo66uLi4uDn9Nh0wOde3pqg+olxGWOVN2pn2onXHaXzGsu7s7AAB9fX0fjvjhBFVVVevWreNCQ58EHhQPHw/fYonFDssdbr24xbV24awQmUymUqlCQkKCgoLu7u5nz55NTU1tbm6WkZHp7e3t7u52cnLS0NDggj9rMGvS6tIedzzWktVie66Aa6BQqDVr1qxZs6atrS0tLc3V1VVFRYWjnYAbN/6WMrawsGBjTZj782UZmg4vZyEjI8O18Jk7oFAoPh4+tAjacollam3qKPWvCOa9wtbU1MDjQvz9/bnjU1VVVVhYGHfa+lQQh4k5jTnqUupst6yhoSEhIcEY8CguLq6trS0hIQEAAI1GKy8vB0FQRUVFWFjYwMAgIiIiJycnOzubRqOpqKhs3LiRXUMIPu6btIaEoIQArwAAAPy8/A7LHIrbit9NvONci1xDRUWFy7VZTvDgwQMhIaE5zN+fM1PKXJ9BAPtR+kb7/mz5U3iBsCCfIOPJ97t5//bbbz4+PgkJCd9++y0XXBkZGZGTkxscHOTagGduwsjDAgCgr6if65orL8rxvDYMCIL19fUZGRlWVlb6+vqfWaSAwBba2tqCgoLExcUjIyPV1NS4MLbEx8fHxMTE3t4+LS2ts7PTx8dHSUmJ041yDUYeFgCA5TLLY21jjZWM+Xnf//Te53rs7OwKCgp27doVGxvLBZ+qq6t1dHQ+S3mFSXFIASPBsp1lXe+6uke6udYuiURKSEgQExNDoVD9/f1U6vvsJ2PpEK55gjBvUVFRSUlJERAQ2Lt3b11dHaevChqN9vr1a0VFRW4O1eIyh7853Luvt86/TkFMoftdN4VOYRz6K5uuq6tbVFQUGxs75xX/mOezLHNNAQWgDBQN9hjuCfo9iGuNtre38/HxEQiEW7du1dTUwDMpAQB4/vz5/fv3SSQS1zxBmJ/09/f39vYKCgrGxsZqa2vDO8tyNGPQ2trKKHO9evXqc80SwLOxfVb6pNenEwYJjOf/NkxSVVX18ePHNTU1Li4uY2NjnPPmS1BYGF8934Y3DYWE2c0HnTN6enoxMTHx8fEnT560srJizDK6cuVKWFjYixcvuOMGwrylrq7OxcUlKyuLSqVGR0fb29uHhob++eefExMTHGqREbf29PRQKBRujhLjPvbL7MeoY8VtxYPjg/AzUweiS0pKFhQUCAgIrFu37u3btxzy48tRWJEFIv6r/Y8WHf20blhZWfn4+LBrrjDCvxcTE5Po6OgzZ84kJSUNDg76+/vv2rXr8OHDWVlZH50WyDqMgQSNjY1KSkqfZQDLQIhPyEnT6ffm34nDRPgZ1EdXlIAg6MiRI3g8/s6dOyoqKux1YmRkRF5efmBg4DPOwyIgzGfq6+sDAwONjY0DAwPl5eWLiorCw8O3bt3q4eHB3gUQAADw9fVdu3atvb09Ho/v6Ojw9vb+nMpcMzPNyoac2Ld1aGjo0KFDWCyWjTYREBBmy5Q9BGtra01NTQ8ePMjGhaGpVGpJSYmuru4ff/xBpVL7+vr6+vq4uSLtfGC66eo7d+48f/68jY3N7du3WdTx0dHRmzdvOjg4KCsrV1ZWBgcHs2gQAQGBFRQVFZOTkyEICg8Pb2xs1NTUTElJef78+aFDh1pbWyEW9g2D9xk6cOCAtra2v7+/np6empoaHx8fPP/wi+u5zqjB5eXlCgoK8fHxc9BvZra9QkBA+FSMj4/v37/fysqqrKwMnlTt7e2Nw+FevHgx231bmdn26gtkZoWFIOj169dLly4NCgpicgeF2W57hYCA8KmYsofg2NjY3r17LS0ty8vLmdzhCd6dxcDAAN6dZfptr740mFJYCIJIJNLXX3/t4eExzYZ3H257NTmnMz4+npub6+bmpqOjw6rXCAgIbGXyHoI0Gu2XX34xNjaeft/WOW979UXBrMJC/9+31dzcfEpPHxbWoKAgOTk5WFi7uro+PCorK/uh7CIgIMwTpuwh+E/7tsLCamRktHjxYnd39+zsbOa3+/0CmYXCQhAEgmBYWBi8byudTmcIq6amZmRk5OvXrxlnThZWeBg8vGgpAgLCvOX58+empqbR0dF9fX3Q/zX33Llz/f39sLAaGxsjwjorPj4ednpOnToVHR3Nz8+vrKyMw+GcnZ0ZY2ZBECwpKcHj8RkZGVJSUs7Ozp6enmpqauyuzyEgIHAEIpEYEBCAwWAiIiKUlJSqq6v9/f2JRCIvL6+ZmRkOh/v6668/71kD7GUuCgsAwJUrVwwMDDQ1NRnPVFVVXbt2DY/HS0pKOjs7u7m5YbFY9vmJgIDAJUgkEjye8siRI0uWLHn27BmRSDQ0NJSSkuLCQlyfGXNUWAaVlZWpqal4PF5KSgqHw7m4uKirs385VAQEBG5CJpMzMzPNzc0VFRURVWUFlhQWgiBra2sjIyMcDrds2TI2uoWAgIDwGcBqDIuAgICA8E/8DzDyjdcwcp5AAAAAAElFTkSuQmCC\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1ad6c050>, <afm.fragment.Fragment object at 0x7fcd1ae17910>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1ae17910>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1ad6c050>]], family='H_Abstraction', template=['C/H2/CdCs', 'C_rad/H2/Cs'])"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "reactions[2]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rxn_index = range(0,len(reactions))\n",
    "rxn_index"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1acc53c0>, <afm.fragment.Fragment object at 0x7fcd1acc5780>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1acc5780>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1acc53c0>]], family='H_Abstraction', template=['C/H2/NonDeC', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1acb7e10>, <afm.fragment.Fragment object at 0x7fcd1b3151e0>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b3151e0>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1acb7e10>]], family='H_Abstraction', template=['C/H2/NonDeC', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1ad6c050>, <afm.fragment.Fragment object at 0x7fcd1ae17910>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1ae17910>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1ad6c050>]], family='H_Abstraction', template=['C/H2/CdCs', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1b2ff8c0>, <afm.fragment.Fragment object at 0x7fcd1ad53320>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1ad53320>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1b2ff8c0>]], family='H_Abstraction', template=['C/H2/CdCs', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1cfaafa0>, <afm.fragment.Fragment object at 0x7fcd1b36af50>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b36af50>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1cfaafa0>]], family='H_Abstraction', template=['C/H2/NonDeC', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1b30e410>, <afm.fragment.Fragment object at 0x7fcd1ad576e0>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1ad576e0>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1b30e410>]], family='H_Abstraction', template=['C/H2/NonDeC', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1ad5f5f0>, <afm.fragment.Fragment object at 0x7fcd1ad5f280>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1ad5f280>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1ad5f5f0>]], family='H_Abstraction', template=['Cd/H/Cd', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1ac85230>, <afm.fragment.Fragment object at 0x7fcd1ac9e140>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1ac9e140>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1ac85230>]], family='H_Abstraction', template=['Cd/H/Cd', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1ae17e10>, <afm.fragment.Fragment object at 0x7fcd1ac7f870>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1ac7f870>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1ae17e10>]], family='H_Abstraction', template=['Cd/H/Cd', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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6r00TE5NHjx5t3LgRmnfy3vzivRAIhIKCAgAAhoaGQBC8ePEiAAAWFhaZmZlvPb6zs7Ovr09DQ0NWVhYAABaL1dbWJikpuWDBgjcPZrFYnZ2d3d3do6OjUlJSSkpKqqqqUlJSY2Nj9fX1OTk5JSUlKioqgYGBpqamfP4uKBTK0tLS0NCwoKAgNTW1vLz8iy++sLa2VlNT62Z11/fWj3BGkAgkRgKjLquuIq0ihnz/B3hoaGh4eJgf70gk8uDBgz4+PlFRUebm5j4+PnxmtURj4h7LPXKSchGPIjqYHQMjAzIoGQAAuFwuAADTrpBCJYKcnJyffvppyZIlJ06c0NTU5Oe30NfXP3bs2LfffpudnR0fHx8REREYGEggEKYawFTvH2Dc/C1eSjtVp1NFBI50dXVPnz4dFRV1/Phxf3//VatWjX+3r6/v8ePHKSkpFApFUVHRzc3t2LFjOjo6k//RoYqHgoJCYmJif3//li1bpjo4/4/I1tfXS0tLC3YAanJGR0erqqrMzMwAAKBSqQcPHhSSIwKBoK6u7ubmFh4eDmk6pK3Qgj9HR8ebN29OVeI1NDTy8/NdXFyIROK1a9cmPBVOlUuXLkH68vPPPw8ODkLPE5MMK2VlZUFruqGZas3NzXFxcWpqakePHp1wJJPJLC4uTktLq62tHRsbk5eXNzMzc3R0NDExGRoaKiwsLC8v37p164oVK6YxiiUnJ/fVV19ZWVmlpaXdvn27v7/fx8cnqzYr/GE4WgKNlcJKiUvhF+B9THy05r1fAc+dOzeNevTw8HBcXNydO3dycnImSV7Gs2DeAvcl7lefXc2pz/Ex8QEAICsra3h4eHqDUSAI9vX1XblyJTMz09vb29PTc6oZvaKioqenp4uLS2lpKQaDmcZ39lTvHwAA2traoLyysrJSqAkmD2FnshAqKirBwcFxcXEXLlxgsVh2dnb9/f2PHz9OTk6GtNXJyem7774zMDDg/zqLi4t7e3vPnz8/Li6OTqf7+vrOmzeP/5D+EVnRF2QrKyu1tbWh0cCysjKhJtGff/55Tk7Ohg0bEhISmpqaOByOu7t7UlISJPHTA4vFZmVlbd++/YsvvkhLS5vJvDdeOUxOTg6JRPKTB/EDl8t9+vRpfHy8oqJiaGiorq4unU6nUqk0Gg0AAAwG4+Li4uLiwtvrfnqoqKjs2LFj9erVbDYbepiy0rDys/RbPH/xnZd3Ul+maslp+Zj6vNcOiUQikUj8+21sbDx79mxycvKuXbuOHj2KxWL5P9dKwyqrLqukrQS/AK8tpz06OhodHR0eHk4gEFxdXRcuXAh9AidXW16JICoq6vXr1yEhIZOUCN6LpKTkihUrxhvncDjQAhAOhwPl2u9iqvcPk8lkMBgKCgrz5s2DtI+3T7SQAEGwo6MDiURO2HJaGMjJyR08eFBOTu77778PCQnp7e1VUVEhEAhHjx7V0dGZ3nMnAoGws7OTlZWNiorq7e09dOgQ/1fsQ4rs+FEvFAol7K+4xYsX5+Xl+fv7//HHH4JaqoBCoRITE0+dOoXD4dLT0/X19QViVlAMDw8/fPiQw+H4+vqamJgAACAvL8+b9ycmJjZDeeWBRCLHl7ARAAKJQKIl0JpymhgUhsGezgSPSRgvr3V1dXzKKxKBFEOKIQAEAAAoMdQq7VWJ5YnFLcU6JjqOjo7r168vLS0dPxhlbm4uISHxrsR2QokgODhYsNtUp6Wl3bp1C/rSGhsbQ6PRNjY2gjLOe3IfHR19/fo1BoMR9tR4Go3GYrHU1NREU7iXkpLatWuXjIxMU1OTm5ubvr6+QCrOOBwOi8WeO3fu1KlT3333HZ/TJP4lst99993M4+AfnsiKTN8XLlx4584dwdpEIBAhISFaWlqrVq1KSUnB4XCCtf8uent7y8vL2Ww2AABNTU3d3d1vfkvRaLTW1lZ1dXVDQ8PxAQs7NvoQndpB7R7spjRRRjgjuvL8DkzxSXJysqamZkNDw5TWRBy0+Vc9at2idesWreP9KCUlxRuMunnz5t69e9XU1LZv375mzRpoMGr8dQNBcGBg4OrVq/fv3/fw8PD09Jzh9Mw3Wb9+vY+PD/TVVVVV9fvvvwvQOO/JvaOjg8vlqqiofOyjXm8iLi6+ZcsWgZs1NjYODQ09f/58SEhIQEAAP8/ff4ssCIJlZWXQTAuRQaVSvb29gQ+RRAucHTt2aGlpEQiE3NzcmWwI/2ZR9V3U1dVduXIFqg0NDg729vaamZmx2ezOzk4ajYZCoVRVVUdHRzkcDgaDmcaQ6Eyooddcpl6WFJMcGhtyNHS01rAWrP3Dhw8L1iAP3oRWPz+/7OzsuLi4M2fOEAgEd3d3Xg0BBMG6urrIyMjXr1+fPHlyJiWCSUCj0crKytCDP41G47Poz+f9w8tkecNfM4qVD0TmSARoaWlBU7tiY2P37dv3Xu36+7PX0NCAwWBEeQnGxsYqKyt5o1779+8XmWshsX79+qysLKhisPTnpZWvKwEAmI+Zb7vI9qcNPymgBfNgzsPU1HTbtm3QBaytrf3tt98AAOjr68vLyyspKUEgEHg8fuXKlXJycnQ6nU6n88p20Lx3oeaz1hrWe6326mB1Ep8n1tBrmhhNAp+RKmx4g1FPnjz59ddf3dzcbGxsvv76a1NTUwqFEhsba2hoGBkZuXDhwg8d6XTg5ZVzbNRLZCgqKh45cqS/vx+DwcT8NyaUEtrD6sFIYEyUTfZb73c1ckVL/POl+HcN+IOMei1YsACagVRWVvaxZ7IQpqamvFW8vzv/PnpitGRXSUNvw//l/p/AfaFQKCwWq6SkpKSkJC8vD00rkZOTc3V1jY2Ntbe3b2trAwDA2NiYRqPl5ub29vaOjIwwmczW1tbXr18LPJ43UcQoOug5SIlLpdeks0ZZIvAocKAJrfHx8bdu3VJVVfXz81u8eHFISAiBQAgNDRWewiKRSDExsfFfhEgkcuYzBSGYTGZfX5+MjAxv1EvY2geCoGiG10QJlJVCBSvCYkLZ7rLmQ83ORs7kSnJeY974I//OZD/gqFdTU5OYmNic+YrjgUQgxZHiOlgdl8Uut6tvi8YpGo1Go9FsNnt4eFhCQgKDwaxcubKmpubOnTs0Gk1LS2twcLClpcXU1NTOzk4E8egq6BorGVOaKC+6XlhrCrhoIDIQCISBgQGJRPLz88vIyFBXV//yyy+F+igwYTqjmZnZ5cuXBWWcN3kLKjQrKysLe9SLTqeLctRL9CAAhBhCTBGjiNPCVb2u6mR2jn/3b5FNSUnZtGmTKMMaP+o1h7clbO1vvfvyrp6CgDeUUVVVNTIygp4DAADAYDB6enpQs3sOh1NbW9vS0rJo0SIFBQUFBQVfX9/09PSCggIGg6GiorJmzZqZTFx7f2wyqkbzjWRRsgAAiCPFrTWsewZ72pnt7z1x9qOkpLR169YPHcVMef78+ZMnT7S1tblcrmjKdHMvjX0rjGHGf9v+28PqmVAb/HsXrpcvXzo7O9vZ2Qlk/RI/2NjYnD9/fuXKlcHBwRISEhO2tf3Y4dVkAQCw0rBK9UxVlRHFHQaCYGtr671799BotIeHhzAWicN87AwPD1+7di0lJYVIJG7evFkEW6llZmY+fPjQzs4Oj8cL25fo4dVkAQDQkNUIWhG03Xw7tJIQ4m89NTIyevToUVlZmaenJ59LG2fC2NhYRUUFtJnAHJha8FYSXRK5JO7jnY/bB9o7mB2iccpkMv/888+qqiotLa2uri7en5LL5Y6NjX1cO2bBCAkpKant27f7+vqmpKTExMT09/cL2+McG/V6E7fFbuW+5c3+zW7Gbu0D7cyRf+3RgwQAoLu7u6urS0FBITs7G4lEbty4sa+vT6gxQSoAPe0+ffp0ToosAAAIAGGtYR3wecCBjAOi8djT09Pf3z84OJiRkZGfn8/b5rGlpSUvL6+urk40YcDMZjo6Ol68eGFjYxMcHFxSUhIWFtbV1SU8d7y1XnO7XIAAEFpyWsQlxB5WT1Zd1vi3kAAAFBcXW1paPnv2TFJS8saNG5aWlng8vrm5WXgB8bLX5uZmJBI5+bZPHzvfLv+26nVVbkOuCHzp6OgEBQVdvXo1MjJy27ZtvCWMFAolKCjo3r17IogBZpYTHx+/evXqhIQEHA5HIpHa29vPnDkjvK366XT64OCgvLz8XB31Go+luqWmnOZ/W//b0NfAexEJAICTk1NMTMz69evT09MRCERYWNiuXbtwOFxZWZmQQhm/w6GlpaWQvMwSpCWk/Sz9Thec/oAxmJiY7Nq1S4DrMmE+XhwcHKKiotatWwcAwNKlS0+ePMlms0kkUkVFhTDczflawXhQYij8AvzAyEBhU+E/r/L61j5+/FhNTe3ixYvQj7dv31ZSUkpPTxdcZ9x/sLGxoVAoIAhCe4IIwwUMDAyfdHV1HTlyxNnZuaCgQODGMzMzT5w4UVhYKHDLHwvA+B/q6uoMDAyOHDkCbcxeXFyspqZ26dIlAfobHR3NyMiQlJRkMBggCLa2tr6rGzsMDIzI6O/vDw8P37hxY2pqKq8jzsxpa2sLDAz09fWtrKwUlM2Pjn81UgQAgEajOTk56enp/fLLLxISEnV1dQ4ODq6urjPs/MrhcAoKCpKSkm7fvq2np2dhYRETEzNtazAwMAKHzWYnJiampKR4eHh4eXnNZGpXZ2fnX3/9lZSUVFlZqaGhsXv3bhcXl5k3ov5ImSiyAAAMDw9//fXXNBotJSVl3rx5kOzq6+tfvnx5qp1f32yZ5ePjM1dbvcLAfOxwOJy0tLSrV69Or/Mrr2VWaWmprq4ugUCwt7d/a1uXT4q3iCwAABwO59ChQ/n5+VALQhaL5eXlxWKxkpOT+dwSHGo9kJiYKCUlRSQSvb2939UyCwYGZlZBoVBiYmKWLl26b98+frorvtkyC9bW8bxdZCGio6MjIiKgFoQcDufgwYMUCuXPP/+cZHPiCS2zPD09+WmZBQMDM6soKys7f/68srJyQEDAWxvHAQDAYDCKi4vHt8xydnbmtcyi0WiFhYVJSUlYLHb37t1CXck9y5lMZAEASElJ2bNnD68F4XjZHX/YhJZZRCJxTq6fg4H5dKirqzt37tzIyMiEzq8MBmNCyywnJydey6wJyuvk5OTs7Kyvry+axfqzk/eILAAAxcXF41sQQrKbmJhoZ2cHaeutW7eGhoacnJxgbYWBmUt0dXVFRkbW1NT4+/svX7782bNnKSkpWVlZcnJyzs7O0FAN1FKhv7+/uLj4Xcr7ifN+kQUAoLa2dsOGDd7e3tA2LgUFBS4uLvPmzQNBkEgkenh4zOFttGBgPmUYDEZ0dHRCQgKLxVq4cKGrq6ujo6Ouri6krSwW69mzZ3fv3n3w4AEGg4G0VVANteYMfIksAACdnZ2bNm2ytLSMi4sDAIBCofT29jo6OsK1bRiYuc3AwEBJSYmMjMzy5cuhPkY8bc3IyEChUK6urq6urgYGBrC2vhV+RRYAACaT+fPPPwcGBsLCCgPzCcJms6lUalJSUnZ2toyMDFQxMDAwEHEHuY+OKYgsDAzMp0x5eTmZTEahUC4uLkZGRlOdNf/JAossDAwMjBD5f5Hl69PZsd3SAAAAAElFTkSuQmCC\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1add2f50>, <afm.fragment.Fragment object at 0x7fcd1b323780>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b323780>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1add2f50>]], family='H_Abstraction', template=['Cd/H/Cd', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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7lpeXQ6UQ+Dd8hp70LSwsbt68aWU13ukGCetvv/2GwWBIJFJWVpaOjs5H21y0aFFJScm6deva2trOnTs3/bl1KEgbAIDh4WEQBGNjYwEAWLp0aU5Oznv37+zs7O3tVVRUnD17NgAAQ0NDbW1toqKi0GBhHENDQ52dnV1dXUwmU0xMTEZGRk5OTkxMjMViNTY25ufnP3v2jEAgHDhwQF9fn8dzwWAwhoaG2trahYWFaWlpVVVVq1evNjY2lpeX7xrqaqQ3jrJH0Sg0TgSnMFuBIE4QQn8809Lw8DCDweCldzQa7efn5+XldfbsWQMDAy8vLx7HsyQ90g7DHXhRfHhJeMdAx9vRt7MwswAA4HA4wDQCqiDPQH5+/sWLFxcsWHD06FElJSVezkJTU/Pw4cPbtm3Ly8u7evVqeHj4gQMH3k3V+lEme/10dXWxWCxFRUURERH+DS3HwmAwuru7Z82aNbWRIC8ICwt7enrOnTs3JiaGRqNt376dm5IRAAAOh0OhUO7fv3/79u2enh4zM7NTp04ZGRnNmjVr4mYNDAxCQ0PDwsJCQkICAgIWLFgwOau4rxobG8XFxeGdcZoYJpNZW1u7ePFiAADKy8v9/Pz41JGzs7OCgoKLiwu3tg0krNCyEDs7uzt37kxW3xUVFR89euTo6EgikX799ddxD4OTJS4uDhKXS5cuDQ4OQk8SE8wj5ebmPnr0aNeuXdAC7ebm5piYGHl5+UOHDo3bc2BgoLS0ND09vb6+nsViSUpKLl682M7ObtGiRdCEaVVV1YYNG0xNTacwbYXH49evX29kZJSenp6SktLf3+/l5ZVbn3v6yWmsCFZCTEJMWIyoQvRa5KU85+PyFxYWNgUfNIPBiImJSU1Nzc/P5/HqV5mj4rrA9Xrl9fzGfK9FXgAA5ObmMhiMqc0+gSDY29t75cqVnJwcT09Pd3f3yY7lpaWl3d3dHR0dy8rKcDjcFG7Yk71+2traoOEknU4fHByUk5P7qNBMk46ODgAA5OXl+Rrqh0KhLC0tZ8+effbsWTqdvnfvXllZWQqFkpubm5SU1NnZuWLFiuPHjxsZGUFDEx5RV1c/fvz42bNnf/rpp3379q1cuZL3Y/+nsIJ3wtbU1KiqqkI/bUVFBV+Hz8uXL8/Pz7exsbl58yaFQmGz2a6urklJSZC+Tw0JCYnc3NzNmzevXr06PT19OiFu3Bs7Ho9Ho9G8jIB4gcPh/Pnnn1evXpWWlg4NDVVXV6fRaOXl5VQqFQAAHA7n6Ojo6Og4zYBtAoGwZcuWVatWjYyMQP4vI0WjnYY7defqpr5KTXuVpoxX9tL/eNG24ODg4OBg3vttamo6efJkcnLy1q1bDx06JCEhwfuxRopGuQ25z9qeEVWIqnhVJpMZGRl5+vRpZ2dnJycnNTU1XgJXuZ6Bs2fPdnd3h4SETOAZ+CiioqKmpqZjG2ez2SwWCwAANpsNjbI/xGSvn3HTXAIosSWYkTKEiYkJHo8PCwuzsbEBQXB4eHjlypVHjhwxMjKacpQhgUAICgqKiYk5d+7c0NCQpaUljz/0TCrs2GkuDAbDb0+Qrq5uQUHBvn37fvvtN7hy82AwmISEhGPHjpmYmGRlZcEYkQcLDAbjyZMnbDZ7+/btixYtAgBAUlJy/vz50FYhISG4FsOg0eixbmsUgEKj0FgRrBJeCYfB9Y1MJZxjAsZqa0NDA4/aikahhdBCKAAFAABGCLNSdWVCVUJpS+m8RfPs7OwsLCzKysrGzj4ZGBiIiIh8aEg7zjMQFBQ02Wm3iUlPT09MTITuWCwWC4vFLlu2DK7GuXpXW1sL12quieGOmvndEQSUkvH+/ftqamo2NjZj3QVTBo/H79279+bNmxcvXqTRaCQSiZdI0P8o7P79+6dvB+9wFVZg4q6mppaamgpvmygUKiQkRFlZeeXKlXfv3jUxMYG3/Q9Bp9OrqqpGRkYAAKBQKF1dXe9evlQqtbW1VUFBQVtbe6zB/LaNNkwr7yjvGuwqohSNskfVJaeS7nICkpOTlZSUXr9+Pakhid+y/7ihvpv/3Xfzv+O+FRMT484+3blzZ9euXfLy8ps3bzYzM4Nmn8Z+byAIvn379vr165mZmW5ubu7u7rA/ZVtYWHh5eUH3rdra2hs3bsDVMovF6ujoEBERIRAI+fn5X8A013vR19fX19eHt01RUdHNmzdLS0v/8ssvVCp18+bNH/UI/auwIAhWVFQYGBjAa9DElJeXe3p6AjMxfIadLVu2KCsrOzs7P3z4UE9Pb8rtvOtI/RANDQ1XrlyBbs6Dg4N0On3x4sUjIyOdnZ1UKhWDwcjJyTGZTDabjcPhBJxPoI5WF18eLyokOswattO2M1Y0hrf9gIAAeBvkwg1c3blzZ15eXkxMzIkTJ5ydnV1dXbmuAxAEGxoaIiIiuru7f/755+l4BiYAi8XKyspCz/tUKpVHRz8v18+4aS4BeAlGRkZ6enr4Os0lMISEhBwdHefMmXPhwgU2m71z586J1yP8+8d7/fo1DocTZMVzFotVU1PDneby9fUVWNd8wsLCIjc3F3IULLy0sKa7BgCAubi5a+evvWhzUQoLc3IKfX39TZs2QV9gfX39L7/8AgBAb29vQUHBs2fPUCgUkUhcsWIFHo+n0Wg0Go17cXMTkcBrz1iMFY13Ge2aJzEv4UVCHa2O0keBPfKU33Bnn54/f37t2jUXF5dly5b98MMP+vr6RUVF0dHR2traERERampqM23ppOEOJ6FpLgKBIIBpLhAECQTCZ5rRYhxQVgR1dXU0Gh1bERtaFNoz1IMTwS2SXeRr7Ouk44QV+d/t8N8TnpFpLhUVFWhGr6Ki4nMfw0KMLcl5w+EG8yjz2dZnr+mvjzw8AntfGAxGQkJCRkZGRkZGUlISiv7D4/FOTk7R0dFWVlZtbW0AAOjp6VGp1IcPH9Lp9NHR0YGBgdbW1u7ubtjteRdpnLS1hrWYsFhWXdYQc0gAPcIOFLh69erVxMREOTm5nTt36urqhoSEODs7h4aG8k9e0Wi0kJDQ2LsgGo2GS56441aBPblzVzfwuyNBoqamBgVHOus6V/hUNO9tdtBxINeQC5oKxu727xh2Bqe5KBSKkJDQF/btAwCARqGF0cLzJOY56jqmvEwRTKdYLBaLxY6MjDAYDBERERwOt2LFirq6utTUVCqVqqysDGUj1NfXt7S0FIA96lLqejJ6RZSiv978ZawEs69AYKBQKGhR5s6dO7OzsxUUFNasWcPXh4BxkYuLFy+Oj4+Hq3Gu3rW3t8vKyk4hin6yCN4JK0hQAEoIJSSNkzZRNqntru0c6By79V+FvXv3rq2trSDNGjvN9TlV3Zkkrf2t917d05CCOVOMnJycjo4ON6YPh8NpaGhIS0sDAMBms+vr61taWubPny8lJSUlJbV9+/asrKzCwsK+vj4CgWBmZjadGLWP2zZLTmeuzmzMbAAAhNHCxorGPYM97QPt/OtRYMjIyGzYsGGmrZgunZ2dHR0dHA7H2NjY2FgQtz2BxYTNIH2Mvj/a/ugZ6hnnD/w3t9arV68cHBwsLS1hWaHEC8uWLTtz5syKFSuCgoJERERCQkIE0KnA4PphAQAwUjRKc0+TmyWIywsEwdbW1oyMDCwW6+bmhsPxKzUfwufLq1evwsPDhYSE9u/f/6Gl4TAyMjJy/PhxcXHxgwcPCgl9fGnf50XUH1GQHxYAAMXZioGmgZsNNkMLBSH+FVMdHZ2SkpKKigp3d3ceVy5OBxaLVV1dDSUK+AICCd5LgmMCJ5jz9Men7W/bOwY6BNPpwMDA/fv3a2trlZWV37x5w/0pORwOi8X6vPJgIfAJHR2d//u//8Pj8ceOHSsrK+N3d9zVXF+evEK46LpUba9q3tfsoufS/rZ9YPQ/mXfQAAB0dXW9efNGSkoKygGxbt263t5evtoESQD0kPvnn39+kQoLAAAKQBkrGvsv99+TDX/mzffS09PT398/ODiYnZ396NEjbubGlpaWgoKChoYGwZiB8IkjJyd35MgRbW3tY8eOTS3jH+8IcjXXTIECUMp4ZdICUs9QT25D7thNaAAASktLDQ0NKysrRUVFb9++bWhoSCQSm5ub+WcQd9za3NyMRqMnTub0ubPt22213bUPXz8UQF/z5s0LDAy8fv16RETEpk2buKXqi4qKAgMDMzIyBGADwmeBpKTkgQMHLC0to6KiEhMTmUwmnzoS8GquGcRQwVAJr/RH6x+ve19zP0QDAGBvbx8VFWVhYZGVlYVCoU6dOrV161YTE5OKigo+mTI2aaGhoSGfevlEEBcR32m483jh8Rm0YdGiRVu3boVx2SXCFwAWi92+fbu3t/eNGzfi4+OHhvgSUfdlBxKMBSOEIaoQ346+fUx5/L9PuVVnnz59Ki8vHxsbC71NSUmRkZHJysqCq6rtWJYtW1ZUVASCIJTsgx9dICAg8AKHw8nPz3d2dj558iSdToe3cQaDERQUBNUBg7flzwVg7JuGhgYtLa2DBw9CKdZLS0vl5eXj4uJg7I/JZGZnZ4uKivb19YEg2NraSqVSYWwfAQFhCjx//tzDwyMwMLC9vR2uNoeHh+/fv29vb3/x4kW42vzs+E8lRAAAqFSqvb29hobG5cuXRUREGhoarK2tnZycplm3lc1mFxYWJiUlpaSkaGhoLF26NCoqasqtISAgwA5cdVtHR0f/+uuvlJSUzMxMDoezZs0aLy+vLzjmfWLGKywAAAwG44cffqBSqXfv3p0zZw6kuZqamvHx8ZOt2/pu2SsvL68vtVArAsLnTmtr65kzZ7q7u6dQt/Xdsleenp5jy159nbxHYQEAYLPZe/fuffToEVRDcGhoyMPDY2hoKDk5mcdMi1ARgYSEBDExMRKJ5OnpKYDYZgQEhGlCo9GioqLKysp8fX0tLCw++uT6btkrNze3D5W9+gp5v8JCREZGhoeHQzUE2Wy2n59fUVHR/fv3J8g0PK7slbu7Oy9lrxAQED4dhoaGrly5kp+fv3HjRnt7+/euFHi37JWrq6uxsTGUpguS3bS0tIKCAldXV7gKOH6WTOymTU5OlpGRyc7Oht6eP39eSUmpoqJi3G7V1dXBwcFaWlpqamp79ux5/Pgx7A5jBAQEgcFkMn/99VdbW9vLly9D1RUh2Gx2Y2NjTEyMubm5rq7utm3b8vPz+/v7x201MzPjbn379u0MncQnwUcUFgTBkpISBQWFhIQE6C2kudA6EEhYdXR0VFVVEWFFQPiS4HA42dnZ9vb2p06dotPpr1+/hoRVTU2NRCKlpqbSaDRoz7HCqqGhsXnz5ry8PK7sfuVM5CXgUl9fb2Nj4+npCeVnKSwshLJ8gyBIIpHc3Ny+2olCBIQvmydPnpw6daq0tFRKSsrU1NTV1XX58uVQYTQOh9Pc3JyTk5OUlNTU1LR06VJPT89Vq1ZJSn5m2db5Ck8KCwBAZ2enra2toaFhTEwMAABFRUV0Ot3Ozk4ARZ8QEBBmkPLychqNtmTJEm415ba2tuzs7Nu3b79+/Xrp0qXu7u5mZmZwVdX8wuBVYQEAGBgYuHTp0oEDBxBVRUD4Cmlra8vJyUlMTGxqajI0NHRzcyMSiYiwTswkFBYBAeGrBQTBGzduFBcXW1tbr1q16guoaSgYEIVFQEBA4Bf/DwvH4DheOyEJAAAAAElFTkSuQmCC\n",
      "text/plain": [
       "TemplateReaction(reactants=[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1b311280>], products=[<afm.fragment.Fragment object at 0x7fcd1ac7b5f0>, <afm.fragment.Fragment object at 0x7fcd1ac7b640>], pairs=[[<afm.fragment.Fragment object at 0x7fcd1c185e10>, <afm.fragment.Fragment object at 0x7fcd1ac7b640>], [<afm.fragment.Fragment object at 0x7fcd1b311280>, <afm.fragment.Fragment object at 0x7fcd1ac7b5f0>]], family='H_Abstraction', template=['Cd/H/Cd', 'C_rad/H2/Cs'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "for index in rxn_index:\n",
    "    display(reactions[index])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [],
   "source": [
    "## Test 3 "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [],
   "source": [
    "#    def test_generate_reactions_from_families1(self):\n",
    "\n",
    "frag1 = afm.fragment.Fragment(label='frag1').from_SMILES_like_string('CC')\n",
    "spec1 = Species(molecule=[frag1])\n",
    "spec_tuple = (spec1,)\n",
    "\n",
    "reactions = database.kinetics.generate_reactions_from_families(spec_tuple)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(reactions)==3"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "TemplateReaction(reactants=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd09b070f0>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd09b07f00>])], products=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])], degeneracy=4.0, pairs=[[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd09b070f0>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])], [Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd09b07f00>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])]], family='1,2_Insertion_carbene', template=['carbene', 'C_methane'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "TemplateReaction(reactants=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd097d2230>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd097d2a50>])], products=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])], degeneracy=0.5, pairs=[[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd097d2230>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])], [Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd097d2230>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])]], family='R_Recombination', template=['C_methyl', 'C_methyl'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "TemplateReaction(reactants=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd09748050>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd09748730>])], products=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])], pairs=[[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd09748050>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])], [Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd09748730>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096c77d0>])]], family='R_Recombination', template=['C_rad/H2/Cs', 'H_rad'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "rxn_index = range(0,len(reactions))\n",
    "for index in rxn_index:\n",
    "    display(reactions[index])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {},
   "outputs": [],
   "source": [
    "## Test 4"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {},
   "outputs": [],
   "source": [
    "#def test_generate_reactions_from_families2(self):\n",
    "\n",
    "frag1 = afm.fragment.Fragment(label='frag1').from_SMILES_like_string('CCR')\n",
    "spec1 = Species(molecule=[frag1])\n",
    "spec_tuple = (spec1,)\n",
    "\n",
    "reactions = database.kinetics.generate_reactions_from_families(spec_tuple)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 23,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(reactions)==4"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "TemplateReaction(reactants=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd097227d0>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096daf50>])], products=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])], degeneracy=3.0, pairs=[[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd097227d0>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])], [Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096daf50>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])]], family='1,2_Insertion_carbene', template=['carbene', 'C_pri/NonDeC'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "TemplateReaction(reactants=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd07921c30>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096dfbe0>])], products=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])], pairs=[[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd07921c30>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])], [Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd096dfbe0>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])]], family='R_Recombination', template=['C_rad/H2/Cs', 'C_methyl'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "TemplateReaction(reactants=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd07950e10>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd07950370>])], products=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])], pairs=[[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd07950e10>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])], [Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd07950370>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])]], family='R_Recombination', template=['C_rad/H2/Cs', 'H_rad'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "TemplateReaction(reactants=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd07950690>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd0979dfa0>])], products=[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])], pairs=[[Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd07950690>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])], [Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd0979dfa0>]), Species(label=\"\", molecule=[<afm.fragment.Fragment object at 0x7fcd1b30e410>])]], family='R_Recombination', template=['C_rad/H/NonDeC', 'H_rad'])"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "rxn_index = range(0,len(reactions))\n",
    "for index in rxn_index:\n",
    "    display(reactions[index])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 2",
   "language": "python",
   "name": "python2"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 2
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython2",
   "version": "2.7.15"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2
}