Benchmark on spliting a TPR universe per molecule using molnums

Bench split per molecule.ipynb

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   "source": [
    "import numpy as np"
   ]
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  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
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   "outputs": [],
   "source": [
    "import MDAnalysis as mda\n",
    "from MDAnalysisTests.datafiles import TPR, XTC"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
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   "source": [
    "u = mda.Universe(TPR, XTC)"
   ]
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     "text": [
      "699 ms ± 25.5 ms per loop (mean ± std. dev. of 7 runs, 1 loop each)\n"
     ]
    }
   ],
   "source": [
    "%timeit u.atoms.fragments"
   ]
  },
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   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
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     "text": [
      "230 ms ± 2.83 ms per loop (mean ± std. dev. of 7 runs, 1 loop each)\n"
     ]
    }
   ],
   "source": [
    "%timeit u.atoms.split('molecule')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "229 ms ± 5.34 ms per loop (mean ± std. dev. of 7 runs, 1 loop each)\n"
     ]
    }
   ],
   "source": [
    "%timeit u.atoms.groupby('molnums')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": []
  }
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