{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "# Install owlready2 if not installed\n",
    "# !pip install owlready2\n",
    "\n",
    "# Import libraries\n",
    "from owlready2 import *"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Loading ontology...\n",
      "Ontology loaded successfully.\n",
      "\n"
     ]
    }
   ],
   "source": [
    "# Step 1: Load the Ontology\n",
    "print(\"Loading ontology...\")\n",
    "onto = get_ontology(\"DrugInteraction.owl\").load()\n",
    "print(\"Ontology loaded successfully.\\n\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Classes in the ontology:\n",
      "DrugInteraction.TestProgram\n",
      "DrugInteraction.Drug\n",
      "DrugInteraction.Interaction\n",
      "DrugInteraction.Conflict\n",
      "DrugInteraction.Similarity\n",
      "\n",
      "Object Properties in the ontology:\n",
      "DrugInteraction.causedBy\n",
      "DrugInteraction.between\n",
      "DrugInteraction.relatedTo\n",
      "\n",
      "Instances of classes:\n",
      "DrugInteraction.Warfarin is an instance of DrugInteraction.Drug\n",
      "DrugInteraction.Aspirin is an instance of DrugInteraction.Drug\n",
      "DrugInteraction.Nitroglycerin is an instance of DrugInteraction.Drug\n",
      "DrugInteraction.Sildenafil is an instance of DrugInteraction.Drug\n",
      "DrugInteraction.Interaction1 is an instance of DrugInteraction.Interaction\n",
      "DrugInteraction.Conflict1 is an instance of DrugInteraction.Conflict\n",
      "DrugInteraction.Similarity1 is an instance of DrugInteraction.Similarity\n"
     ]
    }
   ],
   "source": [
    "# Step 2: Explore Ontology Structure\n",
    "print(\"Classes in the ontology:\")\n",
    "for cls in onto.classes():\n",
    "    print(cls)\n",
    "\n",
    "print(\"\\nObject Properties in the ontology:\")\n",
    "for prop in onto.object_properties():\n",
    "    print(prop)\n",
    "\n",
    "print(\"\\nInstances of classes:\")\n",
    "for ind in onto.individuals():\n",
    "    print(f\"{ind} is an instance of {ind.is_a[0]}\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "Querying Drug Interactions:\n",
      "Interaction: Interaction1, Caused By: Warfarin, Aspirin\n"
     ]
    }
   ],
   "source": [
    "# Step 3: Query Relationships\n",
    "print(\"\\nQuerying Drug Interactions:\")\n",
    "interaction_class = onto.search_one(iri=\"*Interaction\")\n",
    "for interaction in interaction_class.instances():\n",
    "    caused_by_drugs = [drug.name for drug in interaction.causedBy]\n",
    "    print(f\"Interaction: {interaction.name}, Caused By: {', '.join(caused_by_drugs)}\")\n",
    "    \n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "Querying Conflicts:\n",
      "Conflict: Conflict1, Between: [DrugInteraction.Sildenafil, DrugInteraction.Nitroglycerin]\n",
      "Drug: DrugInteraction.Sildenafil\n",
      "Drug: DrugInteraction.Nitroglycerin\n",
      "Conflict: Conflict1, Involves Drugs: Sildenafil, Nitroglycerin\n"
     ]
    }
   ],
   "source": [
    "print(\"\\nQuerying Conflicts:\") \n",
    "conflict_class = onto.search_one(iri=\"*Conflict\") \n",
    "for conflict in conflict_class.instances(): \n",
    "\tprint(f\"Conflict: {conflict.name}, Between: {conflict.between}\") \n",
    "\tinvolved_drugs = [] \n",
    "\tfor drug in conflict.between: \n",
    "\t\tprint(f\"Drug: {drug}\") # Print the drug to see its structure \n",
    "\t\ttry: \n",
    "\t\t\tinvolved_drugs.append(drug.name) \n",
    "\t\texcept AttributeError: \n",
    "\t\t\tprint(f\"Error: 'str' object has no attribute 'name'. Drug: {drug}\") \t\t\n",
    "print(f\"Conflict: {conflict.name}, Involves Drugs: {', '.join(involved_drugs)}\")\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "Querying Similarities:\n",
      "Similarity: Similarity1, Related Drugs: Warfarin, Aspirin\n"
     ]
    }
   ],
   "source": [
    "# Querying Similarities with error handling\n",
    "print(\"\\nQuerying Similarities:\")\n",
    "similarity_class = onto.search_one(iri=\"*Similarity\")\n",
    "\n",
    "if similarity_class:  # Ensure the class exists\n",
    "    for similarity in similarity_class.instances():\n",
    "        # Safely handle 'relatedTo' to avoid AttributeError\n",
    "        related_drugs = [\n",
    "            drug.name if isinstance(drug, Thing) else str(drug) \n",
    "            for drug in getattr(similarity, \"relatedTo\", [])\n",
    "        ]\n",
    "        print(f\"Similarity: {similarity.name}, Related Drugs: {', '.join(related_drugs)}\")\n",
    "else:\n",
    "    print(\"Similarity class not found in the ontology.\")\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "* Owlready2 * Running HermiT...\n",
      "    java -Xmx2000M -cp /home/manith/.local/lib/python3.12/site-packages/owlready2/hermit:/home/manith/.local/lib/python3.12/site-packages/owlready2/hermit/HermiT.jar org.semanticweb.HermiT.cli.CommandLine -c -O -D -I file:////tmp/tmps4u6q73_\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "Reasoning complete. Checking inferred facts...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "* Owlready2 * HermiT took 0.49095606803894043 seconds\n",
      "* Owlready * (NB: only changes on entities loaded in Python are shown, other changes are done but not listed)\n"
     ]
    }
   ],
   "source": [
    "# Step 4: Test Reasoning\n",
    "# Add reasoning to infer new facts based on ontology\n",
    "with onto:\n",
    "    sync_reasoner()  # Runs the HermiT reasoner\n",
    "print(\"\\nReasoning complete. Checking inferred facts...\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "Inferred Relationships for Interactions:\n",
      "Interaction: Interaction1, Caused By: Warfarin, Aspirin\n"
     ]
    }
   ],
   "source": [
    "# Re-query after reasoning\n",
    "print(\"\\nInferred Relationships for Interactions:\")\n",
    "for interaction in interaction_class.instances():\n",
    "    caused_by_drugs = [drug.name for drug in interaction.causedBy]\n",
    "    print(f\"Interaction: {interaction.name}, Caused By: {', '.join(caused_by_drugs)}\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "Custom Query: Find interactions involving 'Warfarin'\n",
      "Interaction Found: Interaction1 caused by Warfarin\n"
     ]
    }
   ],
   "source": [
    "# Step 5: Custom Queries and Testing\n",
    "print(\"\\nCustom Query: Find interactions involving 'Warfarin'\")\n",
    "warfarin = onto.search_one(iri=\"*Warfarin\")\n",
    "for interaction in interaction_class.instances():\n",
    "    if warfarin in interaction.causedBy:\n",
    "        print(f\"Interaction Found: {interaction.name} caused by Warfarin\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "Custom Query: Find conflicts involving 'Nitroglycerin'\n",
      "Conflict Found: Conflict1 involving Nitroglycerin\n"
     ]
    }
   ],
   "source": [
    "print(\"\\nCustom Query: Find conflicts involving 'Nitroglycerin'\")\n",
    "\n",
    "# Dynamically find the Nitroglycerin individual\n",
    "nitroglycerin = onto.search_one(iri=\"*Nitroglycerin\")\n",
    "\n",
    "if nitroglycerin:\n",
    "    # Query Conflicts and check 'between' property\n",
    "    for conflict in conflict_class.instances():\n",
    "        involved_drugs = getattr(conflict, \"between\", [])\n",
    "        if nitroglycerin in involved_drugs:\n",
    "            print(f\"Conflict Found: {conflict.name} involving Nitroglycerin\")\n",
    "else:\n",
    "    print(\"Nitroglycerin not found in the ontology.\")\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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