databases/MINES/import-mines-gems3-json-data.ipynb

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   "id": "9f27c90e-df52-406f-9137-65f8fd2a78bd",
   "metadata": {},
   "outputs": [],
   "source": [
    "import thermomatch as match\n",
    "match.ThermoImpexGenerator.create_local_database_if_not_existent = True"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "951951eb-acd5-420a-823d-427ad1ddf400",
   "metadata": {},
   "outputs": [],
   "source": [
    "# Set path to `schemas` and `lua` not from the configuration file\n",
    "match.ThermoImpexGenerator.setResourcesDirectory(\"../../Resources\")\n",
    "\n",
    "# Connect to Arango database\n",
    "generator = match.ThermoImpexGenerator(\"http://localhost:8529\", \"root\", \"\", \"ORD_mines23\", True, match.ThermoImpexGenerator.File, False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "75ab906d-0168-4c99-9993-584530ad1a65",
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   "outputs": [],
   "source": [
    "# List of implemented thermodynamic formats\n",
    "#print( generator.allFormats() )\n",
    "\n",
    "# Execute import from PSI table format data\n",
    "description = [\n",
    "    match.ImpexRowDescription(\"refs\", \"VertexDataSource\", \"records_and_links\", \"FormatStructDataFile\", \"scripts-in/references.FormatStructDataFile.json\"), # Datasource records \n",
    "    match.ImpexRowDescription(\"elements\", \"VertexElement\", \"records\", \"FormatStructDataFile\", \"scripts-in/Element.mines23.FormatStructDataFile.json\"), # elements records\n",
    "    match.ImpexRowDescription(\"aqueous\", \"VertexSubstance\", \"records\", \"FormatStructDataFile\", \"scripts-in/Substance.mines23.FormatStructDataFile.json\"), # aqueous substances records\n",
    "    match.ImpexRowDescription(\"solids\", \"VertexSubstance\", \"records\", \"FormatStructDataFile\", \"scripts-in/Substance.mines23.FormatStructDataFile.json\"), # solid substances records\n",
    "    match.ImpexRowDescription(\"fluids\", \"VertexSubstance\", \"records\", \"FormatStructDataFile\", \"scripts-in/Substance.mines23.FormatStructDataFile.json\"), # fluid substances records\n",
    "    match.ImpexRowDescription(\"reactions\", \"VertexSubstance\", \"records\", \"FormatStructDataFile\", \"scripts-in/ReactionSubstance.mines23.FormatStructDataFile.json\"), # reaction dependent substances records\n",
    "    match.ImpexRowDescription(\"reactions\", \"VertexReaction\", \"group\", \"FormatStructDataFile\", \"scripts-in/Reaction.mines23.FormatStructDataFile.json\"), # reaction records\n",
    "    match.ImpexRowDescription(\"reactions\", \"EdgeTakes\", \"group\", \"FormatStructDataFile\", \"scripts-in/ReactionEdge.mines23.FormatStructDataFile.json\"), # links between reactants and reaction records\n",
    "    match.ImpexRowDescription(\"phasespure\", \"VertexPhase\", \"records_and_links\", \"FormatStructDataFile\", \"scripts-in/Phase.mines23.FormatStructDataFile.json\"), # phase records\n",
    "    match.ImpexRowDescription(\"ThermoDataSet\", \"VertexThermoDataSet\", \"records_and_links\", \"FormatTableFile\", \"scripts-in/thermodataset.FormatTableFile.json\") # thermodataset record\n",
    "]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "39f719c9-d02a-4997-a3b8-5ebe1bc4726b",
   "metadata": {},
   "outputs": [],
   "source": [
    "#print( description )\n",
    "generator.runImport(\"ReacDCImport\", description, \"data-in/mines23.refs.json\", \"mines23\");"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "5cd841c1-6d72-4586-a89a-881ab5df1d74",
   "metadata": {},
   "outputs": [],
   "source": []
  }
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