calc_molport_pages.ipynb

gistfile1.txt

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# increase search space by 2 to find largest success"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1 success\n",
      "2 success\n",
      "4 success\n",
      "8 success\n",
      "16 success\n",
      "32 success\n",
      "64 success\n",
      "128 success\n",
      "256 success\n",
      "512 success\n",
      "1024 success\n"
     ]
    }
   ],
   "source": [
    "import httplib2\n",
    "\n",
    "base = 'http://zinc.docking.org/catalogs/molport/protomers/subsets/for-sale.db2.gz?page='\n",
    "\n",
    "i = 1\n",
    "h = httplib2.Http()\n",
    "resp = h.request(base+str(i), 'HEAD')\n",
    "while int(resp[0]['status']) < 400:\n",
    "    print(i, 'success')\n",
    "    i*=2\n",
    "    resp = h.request(base+str(i), 'HEAD')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# iteratively divide search space by 2 "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 56,
   "metadata": {},
   "outputs": [],
   "source": [
    "min_success = i//2\n",
    "min_failure = i\n",
    "j = ( min_failure - min_success ) //2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 57,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "512 1536\n",
      "256 1536\n",
      "128 1536\n",
      "64 1536\n",
      "32 1504\n",
      "16 1504\n",
      "8 1496\n",
      "4 1496\n",
      "2 1496\n",
      "1 1495\n"
     ]
    }
   ],
   "source": [
    "while j>1:\n",
    "    #recalculate j:\n",
    "    j = ( min_failure - min_success ) //2\n",
    "    #ping URL:\n",
    "    resp = h.request(base+str(j+min_success), 'HEAD')\n",
    "    \n",
    "    if int(resp[0]['status'])<400:\n",
    "        #success! Increase min_success\n",
    "        min_success = j + min_success    \n",
    "    else:\n",
    "        #failed. Reduce min_failure\n",
    "        min_failure = j + min_success\n",
    "        \n",
    "    print(j, j+min_success)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 58,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1494"
      ]
     },
     "execution_count": 58,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "min_success"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 59,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1495"
      ]
     },
     "execution_count": 59,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "min_failure"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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