Update app.py
Browse files
app.py
CHANGED
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@@ -15,19 +15,24 @@ def get_chemical_info(chemical_name):
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output.append(f"Isotope Atom Count: {compound.isotope_atom_count}")
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output.append(f"Charge: {compound.charge}")
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output.append("\nAtoms:")
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for i, atom in enumerate(compound.atoms, start=1):
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output.append(f" Atom {i}: Element = {atom.element}")
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output.append("\nBonds:")
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for bond in compound.bonds:
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return "\n".join(output)
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except IndexError:
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return f"No information found for '{chemical_name}'. Please try a more precise name."
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# Gradio Interface
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demo = gr.Interface(
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fn=get_chemical_info,
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output.append(f"Isotope Atom Count: {compound.isotope_atom_count}")
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output.append(f"Charge: {compound.charge}")
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# Atoms
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output.append("\nAtoms:")
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for i, atom in enumerate(compound.atoms, start=1):
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output.append(f" Atom {i}: Element = {atom.element}")
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# Bonds
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output.append("\nBonds:")
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for bond in compound.bonds:
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atom1 = bond.atom1.element
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atom2 = bond.atom2.element
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output.append(f" Bond between {atom1} and {atom2}, Order: {bond.order}")
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return "\n".join(output)
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except IndexError:
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return f"No information found for '{chemical_name}'. Please try a more precise name."
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+
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# Gradio Interface
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demo = gr.Interface(
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fn=get_chemical_info,
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