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| import math | |
| from typing import Dict, List, Optional | |
| import gradio as gr | |
| import pandas as pd | |
| import numpy as np | |
| import matplotlib.pyplot as plt | |
| from periodictable import elements | |
| NUMERIC_PROPS = [ | |
| ("mass", "Atomic mass (u)"), | |
| ("density", "Density (g/cm^3)"), | |
| ("electronegativity", "Pauling electronegativity"), | |
| ("boiling_point", "Boiling point (K)"), | |
| ("melting_point", "Melting point (K)"), | |
| ("vdw_radius", "van der Waals radius (pm)"), | |
| ("covalent_radius", "Covalent radius (pm)"), | |
| ] | |
| CURATED_FACTS: Dict[str, List[str]] = { | |
| "H": ["Lightest element; ~74% of the visible universe by mass is hydrogen in stars."], | |
| "He": ["Inert, used in cryogenics and balloons; second lightest element."], | |
| "Li": ["Batteries MVP: lithium-ion cells power phones and EVs."], | |
| "C": ["Backbone of life; diamond and graphite are pure carbon with wildly different properties."], | |
| "N": ["~78% of Earth's atmosphere is nitrogen (mostly N₂)."], | |
| "O": ["Essential for respiration; ~21% of Earth's atmosphere."], | |
| "Na": ["Sodium metal reacts violently with water—handle only under oil or inert gas."], | |
| "Mg": ["Burns with a bright white flame; used in flares and fireworks."], | |
| "Al": ["Light and strong; forms a protective oxide layer that resists corrosion."], | |
| "Si": ["Silicon is the basis of modern electronics—hello, semiconductors."], | |
| "Cl": ["Powerful disinfectant; elemental chlorine is toxic, compounds are widely useful."], | |
| "Ar": ["Argon is used to provide inert atmospheres for welding and 3D printing."], | |
| "Fe": ["Core of steel; iron is essential in hemoglobin for oxygen transport."], | |
| "Cu": ["Excellent electrical conductor; iconic blue-green patina (verdigris)."], | |
| "Ag": ["Highest electrical conductivity of all metals; historically used as currency."], | |
| "Au": ["Very unreactive ('noble'); prized for electronics and jewelry."], | |
| "Hg": ["Only metal that's liquid at room temperature; toxic—use with care."], | |
| "Pb": ["Dense and malleable; toxicity led to phase-out from gasoline and paints."], | |
| "U": ["Radioactive; used as nuclear reactor fuel (U-235)."], | |
| "Pu": ["Man-made in quantity; key in certain nuclear technologies."], | |
| "F": ["Most electronegative element; extremely reactive."], | |
| "Ne": ["Neon glows striking red-orange in discharge tubes—classic signs."], | |
| "Xe": ["Xenon makes bright camera flashes and high-intensity lamps."], | |
| } | |
| GROUP_FACTS = { | |
| "alkali": "Alkali metal: very reactive soft metal; forms +1 cations and reacts with water.", | |
| "alkaline-earth": "Alkaline earth metal: reactive (less than Group 1); forms +2 cations.", | |
| "transition": "Transition metal: often good catalysts, colorful compounds, multiple oxidation states.", | |
| "post-transition": "Post-transition metal: softer metals with lower melting points than transition metals.", | |
| "metalloid": "Metalloid: properties between metals and nonmetals; often semiconductors.", | |
| "nonmetal": "Nonmetal: tends to form covalent compounds; wide range of roles in biology and materials.", | |
| "halogen": "Halogen: very reactive nonmetals; form salts with metals and −1 oxidation state.", | |
| "noble-gas": "Noble gas: chemically inert under most conditions; monatomic gases.", | |
| "lanthanide": "Lanthanide: f-block rare earths; notable for magnets, lasers, and phosphors.", | |
| "actinide": "Actinide: radioactive f-block; includes nuclear fuel materials.", | |
| } | |
| def classify_category(el) -> str: | |
| try: | |
| if el.block == "s" and el.group == 1 and el.number != 1: | |
| return "alkali" | |
| if el.block == "s" and el.group == 2: | |
| return "alkaline-earth" | |
| if el.block == "p" and el.group in (13, 14, 15, 16) and el.metallic: | |
| return "post-transition" | |
| if el.block == "d": | |
| return "transition" | |
| if el.block == "p" and el.group == 17: | |
| return "halogen" | |
| if el.block == "p" and el.group == 18: | |
| return "noble-gas" | |
| if el.block == "p" and not el.metallic: | |
| return "nonmetal" | |
| if el.block == "f" and 57 <= el.number <= 71: | |
| return "lanthanide" | |
| if el.block == "f" and 89 <= el.number <= 103: | |
| return "actinide" | |
| except Exception: | |
| pass | |
| return "nonmetal" if not getattr(el, "metallic", False) else "post-transition" | |
| def build_elements_df() -> pd.DataFrame: | |
| rows = [] | |
| for Z in range(1, 119): | |
| el = elements[Z] | |
| if el is None: | |
| continue | |
| data = { | |
| "Z": el.number, | |
| "symbol": el.symbol, | |
| "name": el.name.title(), | |
| "period": getattr(el, "period", None), | |
| "group": getattr(el, "group", None), | |
| "block": getattr(el, "block", None), | |
| "mass": getattr(el, "mass", None), | |
| "density": getattr(el, "density", None), | |
| "electronegativity": getattr(el, "electronegativity", None), | |
| "boiling_point": getattr(el, "boiling_point", None), | |
| "melting_point": getattr(el, "melting_point", None), | |
| "vdw_radius": getattr(el, "vdw_radius", None), | |
| "covalent_radius": getattr(el, "covalent_radius", None), | |
| "category": classify_category(el), | |
| "is_radioactive": bool(getattr(el, "radioactive", False)), | |
| } | |
| rows.append(data) | |
| df = pd.DataFrame(rows).sort_values("Z").reset_index(drop=True) | |
| return df | |
| DF = build_elements_df() | |
| MAX_GROUP = 18 | |
| MAX_PERIOD = 7 | |
| GRID: List[List[Optional[int]]] = [[None for _ in range(MAX_GROUP)] for _ in range(MAX_PERIOD)] | |
| for _, row in DF.iterrows(): | |
| period, group, Z = int(row["period"]), row["group"], int(row["Z"]) | |
| if group is None: | |
| continue | |
| GRID[period-1][group-1] = Z | |
| LAN = [z for z in DF["Z"] if 57 <= z <= 71] | |
| ACT = [z for z in DF["Z"] if 89 <= z <= 103] | |
| def plot_trend(trend_df: pd.DataFrame, prop_key: str, Z: int, symbol: str): | |
| fig, ax = plt.subplots() | |
| ax.scatter(trend_df["Z"], trend_df[prop_key]) | |
| # highlight | |
| sel = trend_df.loc[trend_df["Z"] == Z, prop_key] | |
| if not sel.empty and not pd.isna(sel.values[0]): | |
| ax.scatter([Z], [sel.values[0]], s=80) | |
| ax.text(Z, sel.values[0], symbol, ha="center", va="bottom") | |
| ax.set_xlabel("Atomic number (Z)") | |
| ax.set_ylabel(dict(NUMERIC_PROPS)[prop_key]) | |
| ax.set_title(f"{dict(NUMERIC_PROPS)[prop_key]} across the periodic table") | |
| fig.tight_layout() | |
| return fig | |
| def plot_heatmap(property_key: str): | |
| prop_label = dict(NUMERIC_PROPS)[property_key] | |
| grid_vals = np.full((MAX_PERIOD, MAX_GROUP), np.nan, dtype=float) | |
| for r in range(MAX_PERIOD): | |
| for c in range(MAX_GROUP): | |
| z = GRID[r][c] | |
| if z is None: | |
| continue | |
| val = DF.loc[DF['Z'] == z, property_key].values[0] | |
| if not pd.isna(val): | |
| grid_vals[r, c] = float(val) | |
| fig, ax = plt.subplots() | |
| im = ax.imshow(grid_vals, origin="upper", aspect="auto") | |
| ax.set_xticks(range(MAX_GROUP)) | |
| ax.set_xticklabels([str(i) for i in range(1, MAX_GROUP+1)]) | |
| ax.set_yticks(range(MAX_PERIOD)) | |
| ax.set_yticklabels([str(i) for i in range(1, MAX_PERIOD+1)]) | |
| ax.set_xlabel("Group") | |
| ax.set_ylabel("Period") | |
| ax.set_title(f"Periodic heatmap: {prop_label}") | |
| fig.colorbar(im, ax=ax, label=prop_label) | |
| fig.tight_layout() | |
| return fig | |
| def element_info(z_or_symbol: str): | |
| try: | |
| if z_or_symbol.isdigit(): | |
| Z = int(z_or_symbol) | |
| _ = elements[Z] | |
| else: | |
| el = elements.symbol(z_or_symbol) | |
| Z = el.number | |
| except Exception: | |
| return f"Unknown element: {z_or_symbol}", None, None | |
| row = DF.loc[DF['Z'] == Z].iloc[0].to_dict() | |
| symbol = row['symbol'] | |
| facts = [] | |
| facts.extend(CURATED_FACTS.get(symbol, [])) | |
| facts.append(GROUP_FACTS.get(row['category'], None)) | |
| facts = [f for f in facts if f] | |
| props_lines = [ | |
| f"{row['name']} ({symbol}), Z = {Z}", | |
| f"Period {int(row['period'])}, Group {row['group']}, Block {row['block']} | Category: {row['category'].replace('-', ' ').title()}", | |
| f"Atomic mass: {row['mass'] if row['mass'] else '—'} u", | |
| f"Density: {row['density'] if row['density'] else '—'} g/cm³", | |
| f"Electronegativity: {row['electronegativity'] if row['electronegativity'] else '—'} (Pauling)", | |
| f"Melting point: {row['melting_point'] if row['melting_point'] else '—'} K | Boiling point: {row['boiling_point'] if row['boiling_point'] else '—'} K", | |
| f"vdW radius: {row['vdw_radius'] if row['vdw_radius'] else '—'} pm | Covalent radius: {row['covalent_radius'] if row['covalent_radius'] else '—'} pm", | |
| f"Radioactive: {'Yes' if row['is_radioactive'] else 'No'}", | |
| ] | |
| info_text = "\n".join(props_lines) | |
| facts_text = "\n• ".join(["Interesting facts:"] + facts) if facts else "No fact on file—still cool though!" | |
| prop_key = 'electronegativity' if not pd.isna(row['electronegativity']) else 'mass' | |
| trend_df = DF[['Z', 'symbol', prop_key]].dropna() | |
| fig = plot_trend(trend_df, prop_key, Z, symbol) | |
| return info_text, facts_text, fig | |
| def handle_button_click(z: int): | |
| return element_info(str(z)) | |
| def search_element(query: str): | |
| query = (query or '').strip() | |
| if not query: | |
| return gr.update(), gr.update(), gr.update() | |
| return element_info(query) | |
| with gr.Blocks(title="Interactive Periodic Table") as demo: | |
| gr.Markdown("# 🧪 Interactive Periodic Table\nClick an element or search by symbol/name/atomic number.") | |
| with gr.Row(): | |
| with gr.Column(scale=2): | |
| gr.Markdown("### Main Table") | |
| with gr.Row(): | |
| for g in range(1, 19): | |
| gr.Markdown(f"**{g}**") | |
| for r in range(MAX_PERIOD): | |
| with gr.Row(): | |
| for c in range(MAX_GROUP): | |
| z = GRID[r][c] | |
| if z is None: | |
| gr.Button("", interactive=False) | |
| else: | |
| sym = DF.loc[DF['Z'] == z, 'symbol'].values[0] | |
| btn = gr.Button(sym) | |
| btn.click(handle_button_click, inputs=[gr.Number(z, visible=False)], outputs=[ | |
| gr.Textbox(interactive=False), gr.Markdown(), gr.Matplotlib()]) | |
| gr.Markdown("### f-block (lanthanides & actinides)") | |
| with gr.Row(): | |
| for z in LAN: | |
| sym = DF.loc[DF['Z'] == z, 'symbol'].values[0] | |
| btn = gr.Button(sym) | |
| btn.click(handle_button_click, inputs=[gr.Number(z, visible=False)], outputs=[ | |
| gr.Textbox(interactive=False), gr.Markdown(), gr.Matplotlib()]) | |
| with gr.Row(): | |
| for z in ACT: | |
| sym = DF.loc[DF['Z'] == z, 'symbol'].values[0] | |
| btn = gr.Button(sym) | |
| btn.click(handle_button_click, inputs=[gr.Number(z, visible=False)], outputs=[ | |
| gr.Textbox(interactive=False), gr.Markdown(), gr.Matplotlib()]) | |
| with gr.Column(scale=1): | |
| search = gr.Textbox(label="Search (symbol/name/Z)", placeholder="e.g., C, Iron, 79") | |
| info = gr.Textbox(label="Properties", lines=10, interactive=False) | |
| facts = gr.Markdown("Select an element to see fun facts.") | |
| trend = gr.Matplotlib() | |
| search.submit(search_element, inputs=[search], outputs=[info, facts, trend]) | |
| gr.Markdown("### Trend heatmap") | |
| prop = gr.Dropdown(choices=[k for k, _ in NUMERIC_PROPS], value="electronegativity", label="Property") | |
| heat = gr.Matplotlib() | |
| def heatmap_callback(property_key): | |
| return plot_heatmap(property_key) | |
| prop.change(heatmap_callback, inputs=[prop], outputs=[heat]) | |
| heat.update(plot_heatmap("electronegativity")) | |
| if __name__ == "__main__": | |
| demo.launch() | |