cab2ebfd9d
The LLM arc completes at section 05 (agentic systems), with neural networks as a standalone ML deep-dive in section 06. Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
114 lines
3.4 KiB
Python
114 lines
3.4 KiB
Python
# thermo_assistant.py
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#
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# A chemical engineering assistant that uses Ollama tool calling
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# to compute vapor pressures with the Antoine equation.
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#
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# CHEG 667-013
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# E. M. Furst
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import math
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from ollama import chat
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# Antoine equation: log10(P) = A - B / (C + T)
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# Returns vapor pressure in mmHg given temperature in degrees Celsius.
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ANTOINE_CONSTANTS = {
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'water': {'A': 8.07131, 'B': 1730.63, 'C': 233.426},
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'ethanol': {'A': 8.20417, 'B': 1642.89, 'C': 230.300},
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'benzene': {'A': 6.90565, 'B': 1211.033, 'C': 220.790},
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'toluene': {'A': 6.95464, 'B': 1344.800, 'C': 219.482},
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'acetone': {'A': 7.02447, 'B': 1161.0, 'C': 224.0},
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}
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def vapor_pressure(compound: str, temperature_C: float) -> str:
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"""
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Calculate the vapor pressure of a compound using the Antoine equation.
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Args:
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compound: Name of the compound (water, ethanol, benzene, toluene, or acetone)
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temperature_C: Temperature in degrees Celsius
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Returns:
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The vapor pressure in mmHg, or an error message if the compound is unknown
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"""
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compound = compound.lower().strip()
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if compound not in ANTOINE_CONSTANTS:
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return f"Unknown compound: {compound}. Available: {', '.join(ANTOINE_CONSTANTS.keys())}"
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c = ANTOINE_CONSTANTS[compound]
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log_p = c['A'] - c['B'] / (c['C'] + temperature_C)
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p_mmhg = 10 ** log_p
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return f"{p_mmhg:.2f} mmHg"
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def available_compounds() -> str:
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"""
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List the compounds available for vapor pressure calculations.
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Returns:
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A comma-separated list of compound names
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"""
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return ', '.join(ANTOINE_CONSTANTS.keys())
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# Tool dispatch table
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tools = {
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'vapor_pressure': vapor_pressure,
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'available_compounds': available_compounds,
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}
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# System prompt: tell the model what it is
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system_message = {
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'role': 'system',
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'content': (
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'You are a chemical engineering assistant. You have access to tools '
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'for computing vapor pressures using the Antoine equation. Use them '
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'when asked about vapor pressures or boiling behavior. Report results '
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'with units. If asked about a compound you do not have data for, say so.'
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),
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}
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def ask(question: str) -> str:
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"""Send a question to the assistant and return the response."""
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messages = [system_message, {'role': 'user', 'content': question}]
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response = chat(
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'llama3.1:8b',
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messages=messages,
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tools=[vapor_pressure, available_compounds],
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)
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# Handle tool calls (there may be more than one)
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while response.message.tool_calls:
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for tool_call in response.message.tool_calls:
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name = tool_call.function.name
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args = tool_call.function.arguments
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print(f' [tool] {name}({args})')
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result = tools[name](**args)
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print(f' [result] {result}')
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messages.append(response.message)
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messages.append({
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'role': 'tool',
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'content': str(result),
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'tool_name': name,
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})
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response = chat(
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'llama3.1:8b',
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messages=messages,
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tools=[vapor_pressure, available_compounds],
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)
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return response.message.content
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# Interactive loop
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if __name__ == '__main__':
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print('Thermo Assistant (type "quit" to exit)\n')
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while True:
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question = input('You: ')
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if question.strip().lower() in ('quit', 'exit', 'q'):
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break
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answer = ask(question)
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print(f'\nAssistant: {answer}\n')
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