"""Shared scientific reminder copy for the Streamlit UI.""" from __future__ import annotations import streamlit as st SCIENTIFIC_REMINDERS = [ "Calculator results are method-dependent; treat EMT, xTB, and ML potentials as screening unless validated.", "Thermochemistry, IR, and dipole values depend on geometry, temperature, charge, spin, and calculator settings.", "Use saved JSON/XYZ artifacts as provenance before citing or comparing numbers.", ] QUERY_SPECIFICATION_HINT = ( "For reliable runs, include molecule or reaction, requested property, " "calculator, and conditions such as temperature, charge, spin, or solvent " "when they matter." ) def render_sidebar_scientific_reminders() -> None: """Render compact project-wide scientific caveats in the sidebar.""" with st.sidebar.expander("Scientific reminders", expanded=False): for item in SCIENTIFIC_REMINDERS: st.markdown(f"- {item}") def render_chat_scientific_reminder() -> None: """Render a concise reminder near the chat workflow.""" st.info( ( f"{QUERY_SPECIFICATION_HINT} Results are only as reliable as the " "selected calculator and recorded artifacts." ) )