Delete app.py

app.py

@@ -1,299 +0,0 @@
-
-import math
-from dataclasses import asdict, dataclass
-from typing import Dict, List, Optional, Tuple
-
-import gradio as gr
-import pandas as pd
-import plotly.express as px
-
-# External dependency:
-#   pip install periodictable
-from periodictable import elements
-
-# -----------------------------
-# Data extraction helpers
-# -----------------------------
-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)"),
-]
-
-# Some curated quick facts. We'll augment with group-based facts so every element gets at least one.
-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.",
-}
-
-# Map periodictable categories into the above buckets
-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"
-
-# Build a dataframe of elements
-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()
-
-# Layout positions: group (1-18) x period (1-7); f-block as two rows
-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
-
-# f-block positions (lanthanides/actinides) - show in separate rows
-LAN = [z for z in DF["Z"] if 57 <= z <= 71]
-ACT = [z for z in DF["Z"] if 89 <= z <= 103]
-
-# -----------------------------
-# UI callbacks
-# -----------------------------
-
-def element_info(z_or_symbol: str):
-    # Accept atomic number or symbol
-    try:
-        if z_or_symbol.isdigit():
-            Z = int(z_or_symbol)
-            el = 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']
-    # Build facts
-    facts = []
-    facts.extend(CURATED_FACTS.get(symbol, []))
-    facts.append(GROUP_FACTS.get(row['category'], None))
-    facts = [f for f in facts if f]
-
-    # Properties text
-    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!\"
-
-    # Trend plot (Atomic number vs selected property)
-    # We'll default to electronegativity if available, else mass.
-    prop_key = 'electronegativity' if not pd.isna(row['electronegativity']) else 'mass'
-    label = dict(NUMERIC_PROPS)[prop_key]
-    trend_df = DF[['Z', 'symbol', prop_key]].dropna()
-    fig = px.scatter(
-        trend_df, x='Z', y=prop_key, hover_name='symbol', title=f'{label} across the periodic table',
-    )
-    # Highlight selected element
-    fig.add_scatter(x=[Z], y=[row[prop_key]] if row[prop_key] else [None],
-                    mode='markers+text', text=[symbol], textposition='top center')
-
-    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)
-
-def heatmap(property_key: str):
-    prop_label = dict(NUMERIC_PROPS)[property_key]
-    # Create a pseudo-2D matrix for the s/p/d blocks (7x18) with property values
-    import numpy as np
-    grid_vals = np.full((MAX_PERIOD, MAX_GROUP), None, dtype=object)
-    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]
-            grid_vals[r, c] = val if not pd.isna(val) else None
-
-    fig = px.imshow(
-        grid_vals.astype(float),
-        origin='upper',
-        labels=dict(color=prop_label, x='Group', y='Period'),
-        x=list(range(1, MAX_GROUP+1)),
-        y=list(range(1, MAX_PERIOD+1)),
-        title=f'Periodic heatmap: {prop_label}',
-        aspect='auto',
-        color_continuous_scale='Viridis'
-    )
-    return fig
-
-# -----------------------------
-# Build UI
-# -----------------------------
-with gr.Blocks(title="Interactive Periodic Table", css=\"\"\"
-.button-cell {min-width: 40px; height: 40px; padding: 0.25rem; font-weight: 600;}
-.symbol {font-size: 0.95rem;}
-.small {font-size: 0.7rem; opacity: 0.8;}
-.grid {display: grid; grid-template-columns: repeat(18, 1fr); gap: 4px;}
-.fgrid {display: grid; grid-template-columns: repeat(15, 1fr); gap: 4px;}
-.header {text-align:center; font-weight:700; margin: 0.5rem 0;}
-\"\"\") 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\")
-            main_buttons = []
-            with gr.Group():
-                with gr.Row():
-                    gr.HTML('<div class=\"grid\">' + ''.join([f'<div class=\"header\">{g}</div>' for g in range(1, 19)]) + '</div>')
-                # Build button grid
-                rows = []
-                for r in range(MAX_PERIOD):
-                    with gr.Row():
-                        cells = []
-                        for c in range(MAX_GROUP):
-                            z = GRID[r][c]
-                            if z is None:
-                                btn = gr.Button(\"\", elem_classes=[\"button-cell\"])
-                                btn.click(lambda: (gr.update(), gr.update(), gr.update()))
-                            else:
-                                sym = DF.loc[DF['Z'] == z, 'symbol'].values[0]
-                                btn = gr.Button(sym, elem_classes=[\"button-cell\"])
-                                btn.click(handle_button_click, inputs=[gr.Number(z, visible=False)], outputs=[
-                                    gr.Textbox(interactive=False), gr.Markdown(), gr.Plot()])
-                            cells.append(btn)
-                        rows.append(cells)
-                gr.Markdown(\"### f-block (lanthanides & actinides)\")
-                with gr.Row():
-                    # Lanthanides row
-                    lan_buttons = []
-                    for z in LAN:
-                        sym = DF.loc[DF['Z'] == z, 'symbol'].values[0]
-                        btn = gr.Button(sym, elem_classes=[\"button-cell\"])
-                        btn.click(handle_button_click, inputs=[gr.Number(z, visible=False)], outputs=[
-                            gr.Textbox(interactive=False), gr.Markdown(), gr.Plot()])
-                        lan_buttons.append(btn)
-                with gr.Row():
-                    # Actinides row
-                    act_buttons = []
-                    for z in ACT:
-                        sym = DF.loc[DF['Z'] == z, 'symbol'].values[0]
-                        btn = gr.Button(sym, elem_classes=[\"button-cell\"])
-                        btn.click(handle_button_click, inputs=[gr.Number(z, visible=False)], outputs=[
-                            gr.Textbox(interactive=False), gr.Markdown(), gr.Plot()])
-                        act_buttons.append(btn)
-
-        with gr.Column(scale=1):
-            gr.Markdown(\"### Inspector\")
-            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.Plot()
-
-            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.Plot()
-            prop.change(heatmap, inputs=[prop], outputs=[heat])
-            # Initialize
-            heat.update(heatmap(\"electronegativity\"))
-
-    gr.Markdown(\"---\\nBuilt with **Gradio** + **periodictable**. Data completeness varies by element; some values may be missing.\")
-
-if __name__ == \"__main__\":
-    demo.launch()