{
 "cells": [
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Usage\n",
    "import the library with your chosen alias, here *e*"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import elementMass as e"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Calculate the atomic weight of an element or compound by with the function calculate_weight()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Si: 28.086, SiO2: 60.084, Fe1.5O: 99.7665\n"
     ]
    }
   ],
   "source": [
    "wt_Si = e.calculate_weight(\"Si\")\n",
    "wt_SiO2 = e.calculate_weight(\"SiO2\")\n",
    "wt_Fe15O = e.calculate_weight(\"Fe1.5O\")\n",
    "print(f\"Si: {wt_Si}, SiO2: {wt_SiO2}, Fe1.5O: {wt_Fe15O}\")"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Calculate atomic weights of multiple elements or compounds by supplying a list of names as the argument to compound_weights(). Results are returned as a pandas Series."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "SiO2     60.084\n",
      "Na2O     61.979\n",
      "P2O5    141.943\n",
      "Name: weights, dtype: float64\n"
     ]
    }
   ],
   "source": [
    "element_names = [\"SiO2\", \"Na2O\", \"P2O5\"]\n",
    "print(e.compound_weights(element_names))"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Get cation or oxygen amounts with cation_numbers() and oxygen_numbers() respectively. Results are returned as a pandas Series."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "P2O5    2.0\n",
       "TiO2    1.0\n",
       "Name: cations, dtype: float64"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "e.cation_numbers([\"P2O5\", \"TiO2\"])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Fe2O3    3.0\n",
       "K2O      1.0\n",
       "Name: oxygen, dtype: float64"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "e.oxygen_numbers([\"Fe2O3\", \"K2O\"])"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Note that cation_numbers() simply returns the amount of the first listed element and therefore only gives reasonable results for simple oxides. It will not work on more complex compounds:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "MgFeSiO4    1.0\n",
       "Name: cations, dtype: float64"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "e.cation_numbers([\"MgFeSiO4\"])"
   ]
  }
 ],
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