Create iupac2style.py

interfaces/iupac2style.py

@@ -0,0 +1,22 @@
+import gradio as gr
+from chemicalconverters import NamesConverter
+
+def convert(chemical_name, plot):
+    # Initialize the ChemicalConverter
+    converter = NamesConverter('knowledgator/IUPAC2SMILES-canonical-small')
+    converted_name = converter.iupac_to_smiles(chemical_name)[0][:6]
+    styles = {"<SYST>": "SYSTEMATIC", "<TRAD>": "TRADITIONAL", "<BASE>": "BASE"}
+    return styles.get(converted_name, "")
+
+
+iupac2style = gr.Interface(
+    fn=convert,
+    allow_flagging='auto',
+    inputs=[
+        gr.Textbox(label="Enter your IUPAC name", placeholder="Enter IUPAC name here"),
+    ],
+    outputs=[gr.Text(label="IUPAC style")],
+    examples=[
+        ["propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate"]
+    ],
+)