tape9-to-decay.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "import os\n",
    "import json\n",
    "import warnings\n",
    "import numpy as np"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "origen_libs = '/home/scopatz/origen22/libs'\n",
    "tape9 = 'decay.lib'\n",
    "lib = os.path.join(origen_libs, tape9)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "from pyne import utils\n",
    "utils.toggle_warnings()\n",
    "warnings.simplefilter('ignore')\n",
    "from pyne.origen22 import parse_tape9\n",
    "from pyne import nucname"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "toname = lambda nuc: nucname.name(nucname.zzaaam_to_id(int(nuc)))\n",
    "ln2 = np.log(2.0)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "t9 = parse_tape9(lib)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "nlb = tuple(sorted(t9.keys()))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(1, 2, 3)"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "nlb"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
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       " 491210: 28.0,\n",
       " 491211: 198.0,\n",
       " 491220: 10.0,\n",
       " 491221: 1.5,\n",
       " 491230: 5.9699999999999998,\n",
       " 491231: 48.0,\n",
       " 491240: 3.2000000000000002,\n",
       " 491250: 2.3300000000000001,\n",
       " 491251: 12.0,\n",
       " 491260: 1.53,\n",
       " 491270: 2.0,\n",
       " 491271: 3.6400000000000001,\n",
       " 491280: 3.7000000000000002,\n",
       " 491290: 0.80000000000000004,\n",
       " 491300: 0.53000000000000003,\n",
       " 491310: 0.29999999999999999,\n",
       " 491320: 0.12,\n",
       " 491330: 0.1139,\n",
       " 491340: 0.077539999999999998,\n",
       " 501140: inf,\n",
       " 501150: inf,\n",
       " 501160: inf,\n",
       " 501170: inf,\n",
       " 501171: 1210000.0,\n",
       " 501180: inf,\n",
       " 501190: inf,\n",
       " 501191: 21170000.0,\n",
       " 501200: inf,\n",
       " 501210: 96480.0,\n",
       " 501211: 1577000000.0,\n",
       " 501220: inf,\n",
       " 501230: 11160000.0,\n",
       " 501231: 2405.0,\n",
       " 501240: inf,\n",
       " 501250: 832900.0,\n",
       " 501251: 571.20000000000005,\n",
       " 501260: 3156000000000.0,\n",
       " 501270: 7560.0,\n",
       " 501271: 248.0,\n",
       " 501280: 3540.0,\n",
       " 501290: 450.0,\n",
       " 501291: 150.0,\n",
       " 501300: 223.19999999999999,\n",
       " 501310: 63.0,\n",
       " 501320: 40.0,\n",
       " 501330: 1.47,\n",
       " 501340: 0.84470000000000001,\n",
       " 501350: 0.29110000000000003,\n",
       " 501360: 0.41299999999999998,\n",
       " 511210: inf,\n",
       " 511220: 233300.0,\n",
       " 511221: 252.0,\n",
       " 511230: inf,\n",
       " 511240: 5201000.0,\n",
       " 511241: 93.0,\n",
       " 511250: 87410000.0,\n",
       " 511260: 1071000.0,\n",
       " 511261: 1140.0,\n",
       " 511270: 332600.0,\n",
       " 511280: 32440.0,\n",
       " 511281: 624.0,\n",
       " 511290: 15550.0,\n",
       " 511300: 2400.0,\n",
       " 511301: 378.0,\n",
       " 511310: 1380.0,\n",
       " 511320: 168.0,\n",
       " 511321: 252.0,\n",
       " 511330: 144.0,\n",
       " 511340: 11.0,\n",
       " 511341: 10.699999999999999,\n",
       " 511350: 1.7,\n",
       " 511360: 0.23130000000000001,\n",
       " 511370: 0.28370000000000001,\n",
       " 511380: 0.13039999999999999,\n",
       " 511390: 0.1719,\n",
       " 521220: inf,\n",
       " 521230: 3.156e+20,\n",
       " 521231: 10340000.0,\n",
       " 521240: inf,\n",
       " 521250: inf,\n",
       " 521251: 5011000.0,\n",
       " 521260: inf,\n",
       " 521270: 33660.0,\n",
       " 521271: 9418000.0,\n",
       " 521280: inf,\n",
       " 521290: 4176.0,\n",
       " 521291: 2903000.0,\n",
       " 521300: inf,\n",
       " 521310: 1500.0,\n",
       " 521311: 108000.0,\n",
       " 521320: 281500.0,\n",
       " 521330: 747.0,\n",
       " 521331: 3324.0,\n",
       " 521340: 2508.0,\n",
       " 521350: 19.199999999999999,\n",
       " 521360: 21.0,\n",
       " 521370: 3.5,\n",
       " 521380: 1.6399999999999999,\n",
       " 521390: 0.42370000000000002,\n",
       " 521400: 0.75190000000000001,\n",
       " 521410: 0.23580000000000001,\n",
       " 521420: 0.49130000000000001,\n",
       " 531270: inf,\n",
       " 531280: 1499.0,\n",
       " 531290: 495400000000000.0,\n",
       " 531300: 44500.0,\n",
       " 531301: 540.0,\n",
       " 531310: 694700.0,\n",
       " 531320: 8280.0,\n",
       " 531330: 74880.0,\n",
       " 531331: 9.0,\n",
       " 531340: 3156.0,\n",
       " 531341: 222.0,\n",
       " 531350: 23800.0,\n",
       " 531360: 83.0,\n",
       " 531361: 46.0,\n",
       " 531370: 24.600000000000001,\n",
       " 531380: 6.4000000000000004,\n",
       " 531390: 2.3999999999999999,\n",
       " 531400: 0.85999999999999999,\n",
       " 531410: 0.40000000000000002,\n",
       " 531420: 0.19600000000000001,\n",
       " 531430: 0.3281,\n",
       " 531440: 0.13270000000000001,\n",
       " 531450: 0.1867,\n",
       " 541260: inf,\n",
       " 541270: 3146000.0,\n",
       " 541280: inf,\n",
       " 541290: inf,\n",
       " 541291: 691200.0,\n",
       " 541300: inf,\n",
       " 541310: inf,\n",
       " 541311: 1028000.0,\n",
       " 541320: inf,\n",
       " 541330: 453200.0,\n",
       " 541331: 189200.0,\n",
       " 541340: inf,\n",
       " 541341: 0.28999999999999998,\n",
       " 541350: 32720.0,\n",
       " 541351: 917.39999999999998,\n",
       " 541360: inf,\n",
       " 541370: 229.80000000000001,\n",
       " 541380: 850.20000000000005,\n",
       " 541390: 39.5,\n",
       " 541400: 13.6,\n",
       " 541410: 1.72,\n",
       " 541420: 1.22,\n",
       " 541430: 0.29999999999999999,\n",
       " 541440: 1.0,\n",
       " 541450: 0.90000000000000002,\n",
       " 541460: 0.93720000000000003,\n",
       " 541470: 0.26379999999999998,\n",
       " 551320: 559400.0,\n",
       " 551330: inf,\n",
       " 551340: 65070000.0,\n",
       " 551341: 10440.0,\n",
       " 551350: 72580000000000.0,\n",
       " 551351: 3180.0,\n",
       " 551360: 1132000.0,\n",
       " 551370: 946700000.0,\n",
       " 551380: 1932.0,\n",
       " 551381: 174.0,\n",
       " 551390: 564.0,\n",
       " 551400: 63.799999999999997,\n",
       " 551410: 25.0,\n",
       " 551420: 1.7,\n",
       " 551430: 1.7,\n",
       " 551440: 1.02,\n",
       " 551450: 0.56000000000000005,\n",
       " 551460: 0.19,\n",
       " 551470: 0.55779999999999996,\n",
       " 551480: 0.2016,\n",
       " 551490: 0.2782,\n",
       " 551500: 0.1244,\n",
       " 561320: inf,\n",
       " 561330: 338900000.0,\n",
       " 561340: inf,\n",
       " 561350: inf,\n",
       " 561351: 103300.0,\n",
       " 561360: inf,\n",
       " 561361: 0.308,\n",
       " 561370: inf,\n",
       " 561371: 153.09999999999999,\n",
       " 561380: inf,\n",
       " 561390: 4962.0,\n",
       " 561400: 1105000.0,\n",
       " 561410: 1096.0,\n",
       " 561420: 642.0,\n",
       " 561430: 13.6,\n",
       " 561440: 11.0,\n",
       " 561450: 6.2000000000000002,\n",
       " 561460: 2.2000000000000002,\n",
       " 561470: 2.2269999999999999,\n",
       " 561480: 5.9009999999999998,\n",
       " 561490: 0.91749999999999998,\n",
       " 561500: 1.7969999999999999,\n",
       " 561510: 0.43680000000000002,\n",
       " 561520: 0.75480000000000003,\n",
       " 571380: 4.26e+18,\n",
       " 571390: inf,\n",
       " 571400: 144800.0,\n",
       " 571410: 14150.0,\n",
       " 571420: 5562.0,\n",
       " 571430: 840.0,\n",
       " 571440: 40.0,\n",
       " 571450: 29.0,\n",
       " 571460: 8.3000000000000007,\n",
       " 571470: 10.0,\n",
       " 571480: 1.3,\n",
       " 571490: 2.8639999999999999,\n",
       " 571500: 0.64849999999999997,\n",
       " 571510: 0.9536,\n",
       " 571520: 0.30940000000000001,\n",
       " 571530: 0.43709999999999999,\n",
       " 571540: 0.17530000000000001,\n",
       " 571550: 0.2215,\n",
       " 581390: 11890000.0,\n",
       " 581400: inf,\n",
       " 581410: 2809000.0,\n",
       " 581420: 3.311e+18,\n",
       " 581430: 118800.0,\n",
       " 581440: 24560000.0,\n",
       " 581450: 180.0,\n",
       " 581460: 852.0,\n",
       " 581470: 70.0,\n",
       " 581480: 43.0,\n",
       " 581490: 1.0,\n",
       " 581500: 1.0,\n",
       " 581510: 1.0,\n",
       " 581520: 14.029999999999999,\n",
       " 581530: 1.7250000000000001,\n",
       " 581540: 3.5910000000000002,\n",
       " 581550: 0.71250000000000002,\n",
       " 581560: 1.1619999999999999,\n",
       " 581570: 0.36170000000000002,\n",
       " 591390: 15840.000000000002,\n",
       " 591400: 203.40000000000001,\n",
       " 591410: inf,\n",
       " 591420: 68870.0,\n",
       " 591421: 876.0,\n",
       " 591430: 1172000.0,\n",
       " 591440: 1037.0,\n",
       " 591441: 432.0,\n",
       " 591450: 21530.0,\n",
       " 591460: 1452.0,\n",
       " 591470: 720.0,\n",
       " 591480: 138.0,\n",
       " 591490: 138.0,\n",
       " 591500: 12.4,\n",
       " 591510: 4.0,\n",
       " 591520: 8.3179999999999996,\n",
       " 591530: 7.7430000000000003,\n",
       " 591540: 1.3069999999999999,\n",
       " 591550: 1.891,\n",
       " 591560: 0.51039999999999996,\n",
       " 591570: 0.67789999999999995,\n",
       " 591580: 0.26290000000000002,\n",
       " 591590: 0.31409999999999999,\n",
       " 601410: 9000.0,\n",
       " 601420: inf,\n",
       " 601430: inf,\n",
       " 601440: 6.6229999999999998e+22,\n",
       " 601450: inf,\n",
       " 601460: inf,\n",
       " 601470: 955600.0,\n",
       " 601480: inf,\n",
       " 601490: 6228.0,\n",
       " 601500: inf,\n",
       " 601510: 744.0,\n",
       " 601520: 690.0,\n",
       " 601530: 67.540000000000006,\n",
       " 601540: 40.0,\n",
       " 601550: 26.059999999999999,\n",
       " 601560: 58.490000000000002,\n",
       " 601570: 4.149,\n",
       " 601580: 7.8890000000000002,\n",
       " 601590: 1.4079999999999999,\n",
       " 601600: 2.121,\n",
       " 601610: 0.55579999999999996,\n",
       " 611450: 558600000.0,\n",
       " 611460: 173563093.0,\n",
       " 611470: 82790000.0,\n",
       " 611480: 464000.0,\n",
       " 611481: 3568000.0,\n",
       " 611490: 191100.0,\n",
       " 611500: 9648.0,\n",
       " 611510: 102200.0,\n",
       " 611520: 246.0,\n",
       " 611521: 450.0,\n",
       " 611530: 324.0,\n",
       " 611540: 168.0,\n",
       " 611541: 108.0,\n",
       " 611550: 36.560000000000002,\n",
       " 611560: 13.1,\n",
       " 611570: 68.019999999999996,\n",
       " 611580: 3.8010000000000002,\n",
       " 611590: 4.2300000000000004,\n",
       " 611600: 0.99629999999999996,\n",
       " 611610: 1.1879999999999999,\n",
       " 611620: 0.39989999999999998,\n",
       " 621450: 29380000.0,\n",
       " 621460: 2208984820000000.0,\n",
       " 621470: 3.377e+18,\n",
       " 621480: 2.5249999999999999e+23,\n",
       " 621490: 3.1540000000000001e+23,\n",
       " 621500: inf,\n",
       " 621510: 2840000000.0,\n",
       " 621520: inf,\n",
       " 621530: 168100.0,\n",
       " 621540: inf,\n",
       " 621550: 1332.0,\n",
       " 621560: 33840.0,\n",
       " 621570: 480.0,\n",
       " 621580: 2639.0,\n",
       " 621590: 162.19999999999999,\n",
       " 621600: 349.10000000000002,\n",
       " 621610: 12.880000000000001,\n",
       " 621620: 19.59,\n",
       " 621630: 2.5630000000000002,\n",
       " 621640: 4.2469999999999999,\n",
       " 621650: 0.9274,\n",
       " 631490: 8043839.9999999991,\n",
       " 631500: 1136049336.0,\n",
       " 631510: inf,\n",
       " 631520: 429200000.0,\n",
       " 631521: 33550.0,\n",
       " 631530: inf,\n",
       " 631540: 271400000.0,\n",
       " 631550: 156500000.0,\n",
       " 631560: 1312000.0,\n",
       " 631570: 54720.0,\n",
       " 631580: 2754.0,\n",
       " 631590: 1086.0,\n",
       " 631600: 51.0,\n",
       " 631610: 42.060000000000002,\n",
       " 631620: 269.80000000000001,\n",
       " 631630: 14.84,\n",
       " 631640: 2.1699999999999999,\n",
       " 631650: 2.548,\n",
       " 641520: 3.408e+21,\n",
       " 641530: 20910000.0,\n",
       " 641540: inf,\n",
       " 641550: inf,\n",
       " 641551: 0.031,\n",
       " 641560: inf,\n",
       " 641570: inf,\n",
       " 641580: inf,\n",
       " 641590: 66960.0,\n",
       " 641600: inf,\n",
       " 641610: 222.0,\n",
       " 641620: 600.0,\n",
       " 641630: 92.769999999999996,\n",
       " 641640: 1301.0,\n",
       " 641650: 100.2,\n",
       " 651590: inf,\n",
       " 651600: 6247000.0,\n",
       " 651610: 597900.0,\n",
       " 651620: 448.19999999999999,\n",
       " 651621: 8028.0,\n",
       " 651630: 1170.0,\n",
       " 651631: 420.0,\n",
       " 651640: 180.0,\n",
       " 651650: 32.75,\n",
       " 661600: inf,\n",
       " 661610: inf,\n",
       " 661620: inf,\n",
       " 661630: inf,\n",
       " 661640: inf,\n",
       " 661650: 8460.0,\n",
       " 661651: 75.359999999999999,\n",
       " 661660: 293400.0,\n",
       " 671650: inf,\n",
       " 671660: 96480.0,\n",
       " 671661: 37870000000.0,\n",
       " 681660: inf,\n",
       " 681670: inf,\n",
       " 681671: 2.2999999999999998,\n",
       " 681680: inf,\n",
       " 681690: 812160.0,\n",
       " 681700: inf,\n",
       " 681710: 27070.0,\n",
       " 681720: 176400.0,\n",
       " 691690: inf,\n",
       " 691700: 11110000.0,\n",
       " 691701: 4.0999999999999997e-06,\n",
       " 691710: 60590000.0,\n",
       " 691720: 228960.0,\n",
       " 701680: inf,\n",
       " 701690: 2766000.0,\n",
       " 701700: inf,\n",
       " 701710: inf,\n",
       " 701720: inf}"
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "t9[3]['half_life']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "DECAY_RXS = ['bminus', 'bplus', 'ec', 'alpha', 'it', 'sf', 'bminus_n']\n",
    "paroff = {'frac_beta_minus': 10000000, 'frac_beta_minus_x': 10000001, \n",
    "  'frac_beta_plus_or_electron_capture': -10000000,\n",
    "  'frac_beta_plus_or_electron_capture_x': -9999999,\n",
    "  'frac_alpha': -20040000,\n",
    "  'frac_isomeric_transition': -1,\n",
    "  #'frac_spont_fiss': 0,\n",
    "  'frac_beta_n': 9990000}\n",
    "paroffm = {'frac_beta_minus': 9999999, 'frac_beta_minus_x': 10000000, \n",
    "  'frac_beta_plus_or_electron_capture': -10000001,\n",
    "  'frac_beta_plus_or_electron_capture_x': -10000000,\n",
    "  'frac_alpha': -20040001,\n",
    "  'frac_isomeric_transition': -1,\n",
    "  #'frac_spont_fiss': 0,\n",
    "  'frac_beta_n': 9989999}\n",
    "lambdas = {}\n",
    "gamma_maps = {}\n",
    "nucs = set()\n",
    "for n in nlb:\n",
    "    lambdas.update({'lambda_' + toname(nuc): ln2/val for nuc, val in t9[n]['half_life'].items() if nuc != 162500})\n",
    "    for key in t9[n]:\n",
    "        if not key.startswith('frac_') or key == 'frac_natural_abund' or key == 'frac_spont_fiss':\n",
    "            continue\n",
    "        for nuc, val in t9[n][key].items():\n",
    "            if val < 1e-16:\n",
    "                continue  # forbidden decay\n",
    "            nname = toname(nuc)\n",
    "            if lambdas['lambda_' + nname] < 1e-16:\n",
    "                continue  # stable nuclide\n",
    "            if nname not in gamma_maps:\n",
    "                gamma_maps[nname] = {}\n",
    "            poff = paroff if int(nuc)%10 == 0 else paroffm\n",
    "            child = nucname.zzaaam_to_id(int(nuc)) + poff[key]\n",
    "            cname = nucname.name(child)\n",
    "            gname = 'gamma_{0}_{1}_{2}'.format(nname, cname, key[5:])\n",
    "            gamma_maps[nname][gname] = val\n",
    "            nucs.add(nname)\n",
    "            nucs.add(cname)\n",
    "            \n",
    "# add β- decays\n",
    "for key, val in lambdas.items():\n",
    "    if val < 1e-16:\n",
    "        continue  # stable nuclide\n",
    "    _, _, nname = key.rpartition('_')\n",
    "    if nname not in gamma_maps:\n",
    "        gamma_maps[nname] = {}\n",
    "    gamma_total = sum(gamma_maps[nname].values())\n",
    "    if gamma_total < 1.0:\n",
    "        parid = nucname.id(nname)\n",
    "        poff = paroff if parid%10 == 0 else paroffm\n",
    "        child = parid + poff['frac_beta_minus']\n",
    "        cname = nucname.name(child)\n",
    "        gname = 'gamma_{0}_{1}_{2}'.format(nname, cname, 'beta_minus')\n",
    "        gamma_maps[nname][gname] = 1.0 - gamma_total\n",
    "        nucs.add(nname)\n",
    "        nucs.add(cname)\n",
    "            "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "symbols = dict(lambdas)\n",
    "for val in gamma_maps.values():\n",
    "    symbols.update(val)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "with open('transmute_data.json', 'r') as f:\n",
    "    data = json.load(f)\n",
    "data['symbols'] = symbols\n",
    "nucs |= set(data['nucs']) \n",
    "data['nucs'] = sorted(nucs, key=nucname.id)\n",
    "with open('transmute_data.json', 'w') as f:\n",
    "    json.dump(data, f, indent='    ', sort_keys=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": []
  }
 ],
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   "file_extension": ".py",
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