import gradio as gr
import pubchempy as pcp

def get_chemical_info(chemical_name):
    try:
        compound = pcp.get_compounds(chemical_name, 'name')[0]

        output = []
        output.append(f"IUPAC Name: {compound.iupac_name}")
        output.append(f"Common Name: {compound.synonyms[0]}")
        output.append(f"Synonyms: {', '.join(compound.synonyms[:4])}")
        output.append(f"Formula: {compound.molecular_formula}")
        output.append(f"Molecular Weight: {compound.molecular_weight}")
        output.append(f"Exact Molecular Weight: {compound.exact_mass}")
        output.append(f"Isotope Atom Count: {compound.isotope_atom_count}")
        output.append(f"Charge: {compound.charge}")

        # Atoms
        output.append("\nAtoms:")
        for i, atom in enumerate(compound.atoms, start=1):
            output.append(f"  Atom {i}: Element = {atom.element}")

        # Bonds
        output.append("\nBonds:")
        for bond in compound.bonds:
            atom1 = bond.atom1.element
            atom2 = bond.atom2.element
            output.append(f"  Bond between {atom1} and {atom2}, Order: {bond.order}")

        return "\n".join(output)

    except IndexError:
        return f"No information found for '{chemical_name}'. Please try a more precise name."


# Gradio Interface
demo = gr.Interface(
    fn=get_chemical_info,
    inputs=gr.Textbox(label="Enter Chemical Name"),
    outputs=gr.Textbox(label="Compound Information", lines=20),
    title="ChemQuery: Learn Molecules Easily",
    description="Enter a chemical name to get formula, synonyms, atomic structure, and more. Powered by PubChem & PubChemPy. Designed for student use in chemistry learning."
)

if __name__ == "__main__":
    demo.launch()