Update app.py

app.py

@@ -2,12 +2,9 @@ from flask import Flask, render_template, request, send_file
 import google.generativeai as genai
 import os
 import re
-from rdkit import Chem
-
-
-from rdkit.Chem import Draw
-import tempfile
+import subprocess
 import uuid
+import tempfile
 
 # Configuration de l'API Gemini
 token = os.environ.get("TOKEN")
@@ -32,10 +29,13 @@ model = genai.GenerativeModel(
 
 app = Flask(__name__)
 
-# Dossier pour les images temporaires
+# Dossiers pour les fichiers temporaires
 app.config['UPLOAD_FOLDER'] = 'static/temp_images'
+app.config['CHEM_RENDERS_FOLDER'] = 'static/chem_renders'
 if not os.path.exists(app.config['UPLOAD_FOLDER']):
     os.makedirs(app.config['UPLOAD_FOLDER'])
+if not os.path.exists(app.config['CHEM_RENDERS_FOLDER']):
+    os.makedirs(app.config['CHEM_RENDERS_FOLDER'])
 
 # Fonction pour extraire et traiter les structures chimiques
 def process_chemfig(text):
@@ -44,22 +44,32 @@ def process_chemfig(text):
     image_paths = []
 
     for match in matches:
-        # Supposons que la syntaxe est du SMILES simplifié ou une représentation compatible RDKit
         try:
-          #  mol = MolFromSmiles(match)
-           mol=Chem.MolFromSmiles(match)
-
-           if mol:
-                d = Draw.rdMolDraw2D.MolDraw2DCairo(500,500)
-                d.DrawMolecule(mol)
-                d.FinishDrawing()
-                image_filename = str(uuid.uuid4()) + '.png'
-                image_path = os.path.join(app.config['UPLOAD_FOLDER'], image_filename)
-                d.WriteDrawingText(image_path)
-                image_paths.append(image_path)
-                text = text.replace(f"\\chemfig{{{match}}}", f'<img src="/temp_images/{image_filename}" style="width:100%; height:auto;" alt="Structure Chimique">')
-           else:
-                text = text.replace(f"\\chemfig{{{match}}}", f'Structure Chimique non valide : {match}')
+            # Créer un fichier LaTeX temporaire
+            tex_filename = str(uuid.uuid4()) + '.tex'
+            tex_filepath = os.path.join(app.config['CHEM_RENDERS_FOLDER'], tex_filename)
+            with open(tex_filepath, 'w') as tex_file:
+                tex_file.write(r'\documentclass[margin=10pt]{standalone}\usepackage{chemfig}\begin{document}\chemfig{' + match + r'}\end{document}')
+
+            # Compiler le fichier LaTeX en PDF
+            pdf_filename = tex_filename[:-4] + '.pdf'
+            pdf_filepath = os.path.join(app.config['CHEM_RENDERS_FOLDER'], pdf_filename)
+            subprocess.run(['pdflatex', '-output-directory', app.config['CHEM_RENDERS_FOLDER'], tex_filepath], check=True)
+
+            # Convertir le PDF en SVG
+            svg_filename = tex_filename[:-4] + '.svg'
+            svg_filepath = os.path.join(app.config['CHEM_RENDERS_FOLDER'], svg_filename)
+            subprocess.run(['pdf2svg', pdf_filepath, svg_filepath], check=True)
+
+            # Remplacer le motif chemfig par la balise img
+            image_path = f'/chem_renders/{svg_filename}'
+            image_paths.append(image_path)
+            text = text.replace(f"\\chemfig{{{match}}}", f'<img src="{image_path}" style="max-width:100%; height:auto;" alt="Structure Chimique">')
+
+            # Supprimer les fichiers temporaires
+            os.remove(tex_filepath)
+            os.remove(pdf_filepath)
+
         except Exception as e:
             text = text.replace(f"\\chemfig{{{match}}}", f'Erreur lors du rendu de la structure : {e}')
 
@@ -92,13 +102,16 @@ def index():
             generated_content = response.text
 
         generated_content, image_paths = process_chemfig(generated_content)
-
     return render_template('index.html', generated_content=generated_content, image_paths=image_paths)
 
-# Route pour servir les images temporaires
+# Routes pour servir les fichiers temporaires
 @app.route('/temp_images/<filename>')
 def temp_image(filename):
     return send_file(os.path.join(app.config['UPLOAD_FOLDER'], filename), mimetype='image/png')
 
+@app.route('/chem_renders/<filename>')
+def chem_render(filename):
+    return send_file(os.path.join(app.config['CHEM_RENDERS_FOLDER'], filename), mimetype='image/svg+xml')
+
 if __name__ == '__main__':
     app.run(debug=True)