app.py

# ST_TOC — Total Organic Carbon Estimation Using AI
# Abbrev-only UI + model-order-safe predictions (bypass sklearn feature-name check)

import io, json, os, base64, math
from pathlib import Path
from datetime import datetime

import streamlit as st
import pandas as pd
import numpy as np
import joblib

# Matplotlib (preview + cross-plot)
import matplotlib
matplotlib.use("Agg")
import matplotlib.pyplot as plt
from matplotlib.ticker import FuncFormatter

import plotly.graph_objects as go
from sklearn.metrics import mean_squared_error

# =========================
# Constants / Defaults
# =========================
APP_NAME = "ST_TOC"
TAGLINE  = "Total Organic Carbon Estimation Using AI"

# UI feature list (abbreviations only)
FEATURES = ["AHT90", "DT", "GR", "K", "RHOB", "TNPH", "Th", "Ur"]
TARGET    = "TOC"
PRED_COL  = "TOC_Pred"

MODELS_DIR = Path("models")
DEFAULT_MODEL = MODELS_DIR / "toc_rf.joblib"
MODEL_FALLBACKS = [MODELS_DIR / "model.joblib", MODELS_DIR / "model.pkl"]

COLORS = {"pred": "#1f77b4", "actual": "#f2b702", "ref": "#5a5a5a"}
STRICT_VERSION_CHECK = False  # optional env banner

# ---- Plot sizing ----
CROSS_W = 350
CROSS_H = 350
TRACK_H = 1000
TRACK_W = 600
FONT_SZ = 13
BOLD_FONT = "Arial Black, Arial, sans-serif"

# =========================
# Page / CSS
# =========================
st.set_page_config(page_title=APP_NAME, page_icon="logo.png", layout="wide")
st.markdown("""
<style>
 .brand-logo { width: 200px; height: auto; object-fit: contain; }
 .centered-container { display: flex; flex-direction: column; align-items: center; text-align: center; }
 .st-message-box { background-color: #f0f2f6; color: #333; padding: 10px; border-radius: 10px; border: 1px solid #e6e9ef; }
 .st-message-box.st-success { background-color: #d4edda; color: #155724; border-color: #c3e6cb; }
 .st-message-box.st-warning { background-color: #fff3cd; color: #856404; border-color: #ffeeba; }
 .st-message-box.st-error   { background-color: #f8d7da; color: #721c24; border-color: #f5c6cb; }

 .main .block-container { overflow: unset !important; }
 div[data-testid="stVerticalBlock"] { overflow: unset !important; }

 /* Sticky expander & tab header inside preview modal */
 div[data-testid="stExpander"] > details > summary {
   position: sticky; top: 0; z-index: 10; background: #fff; border-bottom: 1px solid #eee;
 }
 div[data-testid="stExpander"] div[data-baseweb="tab-list"] {
   position: sticky; top: 42px; z-index: 9; background: #fff; padding-top: 6px;
 }
</style>
""", unsafe_allow_html=True)

TABLE_CENTER_CSS = [
    dict(selector="th", props=[("text-align", "center")]),
    dict(selector="td", props=[("text-align", "center")]),
]

# =========================
# Password gate
# =========================
def inline_logo(path="logo.png") -> str:
    try:
        p = Path(path)
        if not p.exists(): return ""
        return f"data:image/png;base64,{base64.b64encode(p.read_bytes()).decode('ascii')}"
    except Exception:
        return ""

def add_password_gate() -> None:
    try:
        required = st.secrets.get("APP_PASSWORD", "")
    except Exception:
        required = os.environ.get("APP_PASSWORD", "")

    if not required:
        st.warning("Set APP_PASSWORD in Secrets (or environment) and restart.")
        st.stop()

    if st.session_state.get("auth_ok", False):
        return

    st.sidebar.markdown(f"""
        <div class="centered-container">
            <img src="{inline_logo('logo.png')}" style="width: 200px; height: auto; object-fit: contain;">
            <div style='font-weight:800;font-size:1.2rem; margin-top: 10px;'>{APP_NAME}</div>
            <div style='color:#667085;'>Smart Thinking • Secure Access</div>
        </div>
        """, unsafe_allow_html=True
    )
    pwd = st.sidebar.text_input("Access key", type="password", placeholder="••••••••")
    if st.sidebar.button("Unlock", type="primary"):
        if pwd == required:
            st.session_state.auth_ok = True
            st.rerun()
        else:
            st.error("Incorrect key.")
    st.stop()

add_password_gate()

# =========================
# Utilities
# =========================
def rmse(y_true, y_pred) -> float:
    return float(np.sqrt(mean_squared_error(y_true, y_pred)))

def pearson_r(y_true, y_pred) -> float:
    a = np.asarray(y_true, dtype=float)
    p = np.asarray(y_pred, dtype=float)
    if a.size < 2: return float("nan")
    if np.all(a == a[0]) or np.all(p == p[0]): return float("nan")
    return float(np.corrcoef(a, p)[0, 1])

def mape(y_true, y_pred, eps: float = 1e-8) -> float:
    a = np.asarray(y_true, dtype=float)
    p = np.asarray(y_pred, dtype=float)
    denom = np.where(np.abs(a) < eps, np.nan, np.abs(a))
    pct = np.abs(a - p) / denom * 100.0
    val = np.nanmean(pct)
    return float(val) if np.isfinite(val) else float("nan")

@st.cache_resource(show_spinner=False)
def load_model(model_path: str):
    return joblib.load(model_path)

@st.cache_data(show_spinner=False)
def parse_excel(data_bytes: bytes):
    bio = io.BytesIO(data_bytes)
    xl = pd.ExcelFile(bio)
    return {sh: xl.parse(sh) for sh in xl.sheet_names}

def read_book_bytes(b: bytes):
    return parse_excel(b) if b else {}

# ---------- Header normalization (to abbreviations for UI) ----------
def _strip_parens(name: str) -> str:
    s = str(name).strip()
    if "(" in s and s.endswith(")"):
        s = s.split("(", 1)[0].strip()
    return s

def _abbr(name: str) -> str:
    """Turn any variant into the canonical abbreviation used in UI FEATURES."""
    n = _strip_parens(name)
    n = n.replace(" ", "").replace("_", "").replace("-", "")
    alias = {
        "AC": "DT",
        "DTus/ft": "DT", "DTusft": "DT",
        "NPHI": "TNPH", "TNPHPercent": "TNPH", "TNPH%": "TNPH",
        "GammaRay": "GR", "GRAPI": "GR",
        "BulkDensity": "RHOB", "RHOBgcc": "RHOB",
        "Thorium": "Th", "TH": "Th",
        "U": "Ur", "UR": "Ur", "Uranium": "Ur",
        "KPercent": "K", "K%": "K", "Potassium": "K",
        "AHT_90": "AHT90", "AHT90AverageHydrocarbonTool90°Phase": "AHT90",
    }
    if n.upper() in {"GR", "DT", "RHOB"}: return n.upper() if n.upper() != "DT" else "DT"
    if n.upper() == "AHT90": return "AHT90"
    if n.upper() == "TNPH": return "TNPH"
    if n.capitalize() == "Th": return "Th"
    if n.capitalize() == "Ur": return "Ur"
    return alias.get(n, n)

def normalize_to_abbr(df: pd.DataFrame) -> pd.DataFrame:
    out = df.copy()
    newcols = []
    for c in out.columns:
        ac = _abbr(c)
        if ac in FEATURES:
            newcols.append(ac)
        elif str(c).strip().lower() in {"toc", "toc (%)", "totalorganiccarbon"}:
            newcols.append(TARGET)
        elif "depth" in str(c).lower():
            newcols.append("Depth")
        else:
            newcols.append(str(c))
    out.columns = newcols
    return out

# ---- Model feature order + X builder (returns NumPy to bypass name checks) ----
def _training_feature_order(model, fallback_features: list[str]) -> list[str]:
    names = list(getattr(model, "feature_names_in_", []))
    if names:
        return [str(n) for n in names]
    return list(fallback_features)

def _make_X(df_raw: pd.DataFrame, model, fallback_features: list[str]) -> np.ndarray:
    df_abbr = normalize_to_abbr(df_raw)
    colmap = { _abbr(c): c for c in df_abbr.columns }
    train_names = _training_feature_order(model, fallback_features)
    order_cols, missing = [], []
    for nm in train_names:
        ab = _abbr(nm)
        if ab in colmap:
            order_cols.append(colmap[ab])
        else:
            missing.append(nm)
    if missing:
        st.markdown(
            '<div class="st-message-box st-error">Missing required columns for prediction (by model training): '
            + ", ".join(missing) + '</div>', unsafe_allow_html=True
        )
        st.stop()
    X_df = df_abbr[order_cols].apply(pd.to_numeric, errors="coerce")
    return np.asarray(X_df.to_numpy(dtype=float, copy=False), dtype=float)

def ensure_required_features(df: pd.DataFrame, model, fallback_features: list[str]) -> bool:
    df_abbr = normalize_to_abbr(df)
    need = [_abbr(nm) for nm in _training_feature_order(model, fallback_features)]
    have = {_abbr(c) for c in df_abbr.columns}
    miss = [n for n in need if n not in have]
    if miss:
        st.error(f"Missing columns: {miss}\nFound: {sorted(list(have))}")
        return False
    return True

def safe_predict(model, df_raw: pd.DataFrame, fallback_features: list[str]) -> np.ndarray:
    X = _make_X(df_raw, model, fallback_features)
    try:
        return model.predict(X)
    except Exception:
        return model.predict(np.asarray(X, dtype=float))

def find_sheet(book, names):
    low2orig = {k.lower(): k for k in book.keys()}
    for nm in names:
        if nm.lower() in low2orig: return low2orig[nm.lower()]
    return None

def _nice_tick0(xmin: float, step: int = 100) -> float:
    return step * math.floor(xmin / step) if np.isfinite(xmin) else xmin

def df_centered_rounded(df: pd.DataFrame, hide_index=True):
    out = df.copy()
    numcols = out.select_dtypes(include=[np.number]).columns
    styler = (
        out.style
           .format({c: "{:.2f}" for c in numcols})
           .set_properties(**{"text-align": "center"})
           .set_table_styles(TABLE_CENTER_CSS)
    )
    st.dataframe(styler, use_container_width=True, hide_index=hide_index)

# ---- Excel writer engine (robust to missing xlsxwriter) ----
def _excel_engine() -> str | None:
    try:
        import xlsxwriter  # noqa: F401
        return "xlsxwriter"
    except Exception:
        try:
            import openpyxl  # noqa: F401
            return "openpyxl"
        except Exception:
            return None  # let pandas choose if possible

# =========================
# Cross plot (Matplotlib)
# =========================
def cross_plot_static(actual, pred):
    a = pd.Series(actual, dtype=float)
    p = pd.Series(pred, dtype=float)
    lo = float(min(a.min(), p.min()))
    hi = float(max(a.max(), p.max()))
    pad = 0.03 * (hi - lo if hi > lo else 1.0)
    lo2, hi2 = lo - pad, hi + pad
    ticks = np.linspace(lo2, hi2, 5)
    dpi = 110
    fig, ax = plt.subplots(figsize=(CROSS_W / dpi, CROSS_H / dpi), dpi=dpi, constrained_layout=False)
    ax.scatter(a, p, s=14, c=COLORS["pred"], alpha=0.9, linewidths=0)
    ax.plot([lo2, hi2], [lo2, hi2], linestyle="--", linewidth=1.2, color=COLORS["ref"])
    ax.set_xlim(lo2, hi2); ax.set_ylim(lo2, hi2)
    ax.set_xticks(ticks);  ax.set_yticks(ticks)
    ax.set_aspect("equal", adjustable="box")
    fmt = FuncFormatter(lambda x, _: f"{x:,.1f}")
    ax.xaxis.set_major_formatter(fmt); ax.yaxis.set_major_formatter(fmt)
    ax.set_xlabel("Actual TOC (%)",    fontweight="bold", fontsize=10, color="black")
    ax.set_ylabel("Predicted TOC (%)", fontweight="bold", fontsize=10, color="black")
    ax.tick_params(labelsize=6, colors="black")
    ax.grid(True, linestyle=":", alpha=0.3)
    for spine in ax.spines.values():
        spine.set_linewidth(1.1); spine.set_color("#444")
    fig.subplots_adjust(left=0.16, bottom=0.16, right=0.98, top=0.98)
    return fig

# =========================
# Track plot (Plotly)
# =========================
def track_plot(df, include_actual=True):
    df = normalize_to_abbr(df)
    depth_col = next((c for c in df.columns if 'depth' in str(c).lower() or c == "Depth"), None)
    if depth_col is not None:
        y = pd.Series(df[depth_col]).astype(float); ylab = depth_col
        y_range = [float(y.max()), float(y.min())]
    else:
        y = pd.Series(np.arange(1, len(df) + 1)); ylab = "Point Index"
        y_range = [float(y.max()), float(y.min())]
    x_series = pd.Series(df.get(PRED_COL, pd.Series(dtype=float))).astype(float)
    if include_actual and TARGET in df.columns:
        x_series = pd.concat([x_series, pd.Series(df[TARGET]).astype(float)], ignore_index=True)
    x_lo, x_hi = float(x_series.min()), float(x_series.max())
    x_pad = 0.03 * (x_hi - x_lo if x_hi > x_lo else 1.0)
    xmin, xmax = x_lo - x_pad, x_hi + x_pad
    tick0 = _nice_tick0(xmin, step=0.5)
    fig = go.Figure()
    if PRED_COL in df.columns:
        fig.add_trace(go.Scatter(
            x=df[PRED_COL], y=y, mode="lines",
            line=dict(color=COLORS["pred"], width=1.8),
            name=PRED_COL,
            hovertemplate=f"{PRED_COL}: "+"%{x:.2f}<br>"+ylab+": %{y}<extra></extra>"
        ))
    if include_actual and TARGET in df.columns:
        fig.add_trace(go.Scatter(
            x=df[TARGET], y=y, mode="lines",
            line=dict(color=COLORS["actual"], width=2.0, dash="dot"),
            name=f"{TARGET} (actual)",
            hovertemplate=f"{TARGET}: "+"%{x:.2f}<br>"+ylab+": %{y}<extra></extra>"
        ))
    fig.update_layout(
        height=TRACK_H, width=TRACK_W, autosize=False,
        paper_bgcolor="#fff", plot_bgcolor="#fff",
        margin=dict(l=64, r=16, t=36, b=48), hovermode="closest",
        font=dict(size=FONT_SZ, color="#000"),
        legend=dict(x=0.98, y=0.05, xanchor="right", yanchor="bottom",
                    bgcolor="rgba(255,255,255,0.75)", bordercolor="#ccc", borderwidth=1),
        legend_title_text=""
    )
    fig.update_xaxes(
        title_text="TOC (%)",
        title_font=dict(size=20, family=BOLD_FONT, color="#000"),
        tickfont=dict(size=12, family=BOLD_FONT, color="#000"),
        side="top", range=[xmin, xmax],
        ticks="outside", tickformat=",.2f", tickmode="auto", tick0=tick0,
        showline=True, linewidth=1.2, linecolor="#444", mirror=True,
        showgrid=True, gridcolor="rgba(0,0,0,0.12)", automargin=True
    )
    fig.update_yaxes(
        title_text=ylab,
        title_font=dict(size=20, family=BOLD_FONT, color="#000"),
        tickfont=dict(size=15, family=BOLD_FONT, color="#000"),
        range=y_range, ticks="outside",
        showline=True, linewidth=1.2, linecolor="#444", mirror=True,
        showgrid=True, gridcolor="rgba(0,0,0,0.12)", automargin=True
    )
    return fig

# ---------- Preview tracks (Matplotlib) ----------
def preview_tracks(df: pd.DataFrame, cols: list[str]):
    df = normalize_to_abbr(df)
    cols = [c for c in cols if c in df.columns]
    n = len(cols)
    if n == 0:
        fig, ax = plt.subplots(figsize=(4, 2))
        ax.text(0.5, 0.5, "No selected columns", ha="center", va="center"); ax.axis("off")
        return fig
    depth_col = next((c for c in df.columns if 'depth' in str(c).lower() or c == "Depth"), None)
    if depth_col is not None:
        idx = pd.to_numeric(df[depth_col], errors="coerce")
        y_label = depth_col
    else:
        idx = pd.Series(np.arange(1, len(df) + 1))
        y_label = "Point Index"
    cmap = plt.get_cmap("tab20")
    col_colors = {col: cmap(i % cmap.N) for i, col in enumerate(cols)}
    fig, axes = plt.subplots(1, n, figsize=(2.3 * n, 7.0), sharey=True, dpi=100)
    if n == 1: axes = [axes]
    y_min, y_max = float(idx.min()), float(idx.max())
    for i, (ax, col) in enumerate(zip(axes, cols)):
        x = pd.to_numeric(df[col], errors="coerce")
        ax.plot(x, idx, '-', lw=1.8, color=col_colors[col])
        ax.set_xlabel(col)
        ax.xaxis.set_label_position('top'); ax.xaxis.tick_top()
        ax.set_ylim(y_max, y_min)
        ax.grid(True, linestyle=":", alpha=0.3)
        if i == 0:
            ax.set_ylabel(y_label)
        else:
            ax.tick_params(labelleft=False)
            ax.set_ylabel("")
    fig.tight_layout()
    return fig

# =========================
# Load model + meta
# =========================
def ensure_model() -> Path|None:
    for p in [DEFAULT_MODEL, *MODEL_FALLBACKS]:
        if p.exists() and p.stat().st_size > 0: return p
    url = os.environ.get("MODEL_URL", "")
    if not url: return None
    try:
        import requests
        DEFAULT_MODEL.parent.mkdir(parents=True, exist_ok=True)
        with requests.get(url, stream=True, timeout=30) as r:
            r.raise_for_status()
            with open(DEFAULT_MODEL, "wb") as f:
                for chunk in r.iter_content(1<<20):
                    if chunk: f.write(chunk)
        return DEFAULT_MODEL
    except Exception:
        return None

mpath = ensure_model()
if not mpath:
    st.error("Model not found. Upload models/toc_rf.joblib (or set MODEL_URL).")
    st.stop()
try:
    model = load_model(str(mpath))
except Exception as e:
    st.error(f"Failed to load model: {e}")
    st.stop()

# Optional meta to override defaults
meta = {}
meta_candidates = [MODELS_DIR / "toc_meta.json", MODELS_DIR / "meta.json"]
meta_path = next((p for p in meta_candidates if p.exists()), None)
if meta_path:
    try:
        meta = json.loads(meta_path.read_text(encoding="utf-8"))
        FEATURES = meta.get("features", FEATURES)
        TARGET   = meta.get("target", TARGET)
        PRED_COL = meta.get("pred_col", PRED_COL)
    except Exception as e:
        st.warning(f"Could not parse meta file ({meta_path.name}): {e}")

if STRICT_VERSION_CHECK and meta.get("versions"):
    import numpy as _np, sklearn as _skl
    mv = meta["versions"]; msg=[]
    if mv.get("numpy") and mv["numpy"] != _np.__version__:
        msg.append(f"NumPy {mv['numpy']} expected, running {_np.__version__}")
    if mv.get("scikit_learn") and mv["scikit_learn"] != _skl.__version__:
        msg.append(f"scikit-learn {mv['scikit_learn']} expected, running {_skl.__version__}")
    if msg:
        st.warning("Environment mismatch: " + " | ".join(msg))

# =========================
# Session state
# =========================
st.session_state.setdefault("app_step", "intro")
st.session_state.setdefault("results", {})
st.session_state.setdefault("train_ranges", None)
st.session_state.setdefault("dev_file_name","")
st.session_state.setdefault("dev_file_bytes",b"")
st.session_state.setdefault("dev_file_loaded",False)
st.session_state.setdefault("dev_preview",False)
st.session_state.setdefault("show_preview_modal", False)

# =========================
# Sidebar branding
# =========================
st.sidebar.markdown(f"""
    <div class="centered-container">
        <img src="{inline_logo('logo.png')}" style="width: 200px; height: auto; object-fit: contain;">
        <div style='font-weight:800;font-size:1.2rem;'>{APP_NAME}</div>
        <div style='color:#667085;'>{TAGLINE}</div>
    </div>
    """, unsafe_allow_html=True
)

def sticky_header(title, message):
    st.markdown(
        f"""
        <style>
        .sticky-container {{
            position: sticky; top: 0; background-color: white; z-index: 100;
            padding-top: 10px; padding-bottom: 10px; border-bottom: 1px solid #eee;
        }}
        </style>
        <div class="sticky-container">
            <h3>{title}</h3>
            <p>{message}</p>
        </div>
        """,
        unsafe_allow_html=True
    )

# =========================
# INTRO
# =========================
if st.session_state.app_step == "intro":
    st.header("Welcome!")
    st.markdown("This software is developed by *Smart Thinking AI-Solutions Team* to estimate **Total Organic Carbon (TOC)** from logging data.")
    st.subheader("How It Works")
    st.markdown(
        "1) **Upload your data to build the case and preview the model performance.** \n"
        "2) Click **Run Model** to compute metrics and plots. \n"
        "3) **Proceed to Validation** (with actual TOC) or **Proceed to Prediction** (no TOC)."
    )
    if st.button("Start Showcase", type="primary"):
        st.session_state.app_step = "dev"; st.rerun()

# =========================
# CASE BUILDING
# =========================
if st.session_state.app_step == "dev":
    st.sidebar.header("Case Building")
    up = st.sidebar.file_uploader("Upload Your Data File", type=["xlsx","xls"])
    if up is not None:
        st.session_state.dev_file_bytes = up.getvalue()
        st.session_state.dev_file_name = up.name
        st.session_state.dev_file_loaded = True
        st.session_state.dev_preview = False
    if st.session_state.dev_file_loaded:
        tmp = read_book_bytes(st.session_state.dev_file_bytes)
        if tmp:
            df0 = next(iter(tmp.values()))
            st.sidebar.caption(f"**Data loaded:** {st.session_state.dev_file_name} • {df0.shape[0]} rows × {df0.shape[1]} cols")

    if st.sidebar.button("Preview data", use_container_width=True, disabled=not st.session_state.dev_file_loaded):
        st.session_state.show_preview_modal = True
        st.session_state.dev_preview = True

    run = st.sidebar.button("Run Model", type="primary", use_container_width=True)
    if st.sidebar.button("Proceed to Validation ▶", use_container_width=True): st.session_state.app_step="validate"; st.rerun()
    if st.sidebar.button("Proceed to Prediction ▶", use_container_width=True): st.session_state.app_step="predict"; st.rerun()

    if st.session_state.dev_file_loaded and st.session_state.dev_preview:
        sticky_header("Case Building", "Previewed ✓ — now click **Run Model**.")
    elif st.session_state.dev_file_loaded:
        sticky_header("Case Building", "📄 **Preview uploaded data** using the sidebar button, then click **Run Model**.")
    else:
        sticky_header("Case Building", "**Upload your data to build a case, then run the model to review development performance.**")

    if run and st.session_state.dev_file_bytes:
        book = read_book_bytes(st.session_state.dev_file_bytes)
        sh_train = find_sheet(book, ["Train","Training","training2","train","training"])
        sh_test  = find_sheet(book, ["Test","Testing","testing2","test","testing"])
        if sh_train is None or sh_test is None:
            st.markdown('<div class="st-message-box st-error">Workbook must include Train/Training/training2 and Test/Testing/testing2 sheets.</div>', unsafe_allow_html=True)
            st.stop()

        tr_raw = book[sh_train].copy()
        te_raw = book[sh_test].copy()

        if not (ensure_required_features(tr_raw, model, FEATURES) and ensure_required_features(te_raw, model, FEATURES)):
            st.stop()

        tr = normalize_to_abbr(tr_raw)
        te = normalize_to_abbr(te_raw)

        tr[PRED_COL] = safe_predict(model, tr_raw, FEATURES)
        te[PRED_COL] = safe_predict(model, te_raw, FEATURES)

        st.session_state.results["Train"]=tr; st.session_state.results["Test"]=te
        st.session_state.results["m_train"]={
            "R":    pearson_r(tr[TARGET], tr[PRED_COL]),
            "RMSE": rmse(tr[TARGET], tr[PRED_COL]),
            "MAPE": mape(tr[TARGET], tr[PRED_COL])
        }
        st.session_state.results["m_test"]={
            "R":    pearson_r(te[TARGET], te[PRED_COL]),
            "RMSE": rmse(te[TARGET], te[PRED_COL]),
            "MAPE": mape(te[TARGET], te[PRED_COL])
        }

        tr_min = tr[FEATURES].min().to_dict(); tr_max = tr[FEATURES].max().to_dict()
        st.session_state.train_ranges = {f:(float(tr_min[f]), float(tr_max[f])) for f in FEATURES}
        st.markdown('<div class="st-message-box st-success">Case has been built and results are displayed below.</div>', unsafe_allow_html=True)

    def _dev_block(df, m):
        c1,c2,c3 = st.columns(3)
        c1.metric("R", f"{m['R']:.3f}")
        c2.metric("RMSE", f"{m['RMSE']:.2f}")
        c3.metric("MAPE (%)", f"{m['MAPE']:.2f}%")
        st.markdown("""
            <div style='text-align: left; font-size: 0.8em; color: #6b7280; margin-top: -16px; margin-bottom: 8px;'>
                <strong>R:</strong> Pearson Correlation Coefficient<br>
                <strong>RMSE:</strong> Root Mean Square Error<br>
                <strong>MAPE:</strong> Mean Absolute Percentage Error (percent of actual; rows with near-zero actuals are ignored).
            </div>
        """, unsafe_allow_html=True)
        col_track, col_cross = st.columns([2, 3], gap="large")
        with col_track:
            st.plotly_chart(track_plot(df, include_actual=True), use_container_width=False, config={"displayModeBar": False, "scrollZoom": True})
        with col_cross:
            st.pyplot(cross_plot_static(df[TARGET], df[PRED_COL]), use_container_width=False)

    if "Train" in st.session_state.results or "Test" in st.session_state.results:
        tab1, tab2 = st.tabs(["Training", "Testing"])
        if "Train" in st.session_state.results:
            with tab1: _dev_block(st.session_state.results["Train"], st.session_state.results["m_train"])
        if "Test" in st.session_state.results:
            with tab2: _dev_block(st.session_state.results["Test"], st.session_state.results["m_test"])
        st.divider()
        st.markdown("### Export to Excel")

        def _excel_safe_name(name: str) -> str:
            bad = '[]:*?/\\'
            safe = ''.join('_' if ch in bad else ch for ch in str(name))
            return safe[:31]

        def _round_numeric(df: pd.DataFrame, ndigits: int = 2) -> pd.DataFrame:
            out = df.copy()
            for c in out.columns:
                if pd.api.types.is_float_dtype(out[c]) or pd.api.types.is_integer_dtype(out[c]):
                    out[c] = pd.to_numeric(out[c], errors="coerce").round(ndigits)
            return out

        def _summary_table(df: pd.DataFrame, cols: list[str]) -> pd.DataFrame:
            cols = [c for c in cols if c in df.columns]
            if not cols:
                return pd.DataFrame()
            tbl = (df[cols]
                    .agg(['min','max','mean','std'])
                    .T.rename(columns={"min":"Min","max":"Max","mean":"Mean","std":"Std"})
                    .reset_index(names="Field"))
            return _round_numeric(tbl)

        def _train_ranges_df(ranges: dict[str, tuple[float, float]]) -> pd.DataFrame:
            if not ranges:
                return pd.DataFrame()
            df = pd.DataFrame(ranges).T.reset_index()
            df.columns = ["Feature", "Min", "Max"]
            return _round_numeric(df)

        def _available_sections() -> list[str]:
            res = st.session_state.get("results", {})
            sections = []
            if "Train" in res:        sections += ["Training","Training_Metrics","Training_Summary"]
            if "Test" in res:         sections += ["Testing","Testing_Metrics","Testing_Summary"]
            if "Validate" in res:     sections += ["Validation","Validation_Metrics","Validation_Summary","Validation_OOR"]
            if "PredictOnly" in res:  sections += ["Prediction","Prediction_Summary"]
            if st.session_state.get("train_ranges"): sections += ["Training_Ranges"]
            sections += ["Info"]
            return sections

        def build_export_workbook(selected: list[str] | None = None) -> tuple[bytes|None, str|None, list[str]]:
            res = st.session_state.get("results", {})
            if not res: return None, None, []
            sheets: dict[str, pd.DataFrame] = {}
            order: list[str] = []

            if ("Training" in (selected or _available_sections())) and "Train" in res:
                tr = _round_numeric(res["Train"]); sheets["Training"] = tr; order.append("Training")
                m = st.session_state.get("results", {}).get("m_train", {})
                if m: sheets["Training_Metrics"] = _round_numeric(pd.DataFrame([m])); order.append("Training_Metrics")
                s = _summary_table(tr, FEATURES + [c for c in [TARGET, PRED_COL] if c in tr.columns])
                if not s.empty: sheets["Training_Summary"] = s; order.append("Training_Summary")

            if ("Testing" in (selected or _available_sections())) and "Test" in res:
                te = _round_numeric(res["Test"]); sheets["Testing"] = te; order.append("Testing")
                m = st.session_state.get("results", {}).get("m_test", {})
                if m: sheets["Testing_Metrics"] = _round_numeric(pd.DataFrame([m])); order.append("Testing_Metrics")
                s = _summary_table(te, FEATURES + [c for c in [TARGET, PRED_COL] if c in te.columns])
                if not s.empty: sheets["Testing_Summary"] = s; order.append("Testing_Summary")

            if ("Validation" in (selected or _available_sections())) and "Validate" in res:
                va = _round_numeric(res["Validate"]); sheets["Validation"] = va; order.append("Validation")
                m = st.session_state.get("results", {}).get("m_val", {})
                if m: sheets["Validation_Metrics"] = _round_numeric(pd.DataFrame([m])); order.append("Validation_Metrics")
                sv = st.session_state.get("results", {}).get("sv_val", {})
                if sv: sheets["Validation_Summary"] = _round_numeric(pd.DataFrame([sv])); order.append("Validation_Summary")
                oor_tbl = st.session_state.get("results", {}).get("oor_tbl")
                if isinstance(oor_tbl, pd.DataFrame) and not oor_tbl.empty:
                    sheets["Validation_OOR"] = _round_numeric(oor_tbl.reset_index(drop=True)); order.append("Validation_OOR")

            if ("Prediction" in (selected or _available_sections())) and "PredictOnly" in res:
                pr = _round_numeric(res["PredictOnly"]); sheets["Prediction"] = pr; order.append("Prediction")
                sv = st.session_state.get("results", {}).get("sv_pred", {})
                if sv: sheets["Prediction_Summary"] = _round_numeric(pd.DataFrame([sv])); order.append("Prediction_Summary")

            tr_ranges = st.session_state.get("train_ranges")
            if ("Training_Ranges" in (selected or _available_sections())) and tr_ranges:
                rr = _train_ranges_df(tr_ranges)
                if not rr.empty: sheets["Training_Ranges"] = rr; order.append("Training_Ranges")

            info = pd.DataFrame([
                {"Key": "AppName",    "Value": APP_NAME},
                {"Key": "Tagline",    "Value": TAGLINE},
                {"Key": "Target",     "Value": TARGET},
                {"Key": "PredColumn", "Value": PRED_COL},
                {"Key": "Features",   "Value": ", ".join(FEATURES)},
                {"Key": "ExportedAt", "Value": datetime.now().strftime("%Y-%m-%d %H:%M:%S")},
            ])
            sheets["Info"] = info; order.append("Info")

            bio = io.BytesIO()
            engine = _excel_engine()
            with pd.ExcelWriter(bio, engine=engine) as writer:
                for name in order:
                    sheets[name].to_excel(writer, sheet_name=_excel_safe_name(name), index=False)
            bio.seek(0)
            fname = f"TOC_Export_{datetime.now().strftime('%Y%m%d_%H%M%S')}.xlsx"
            return bio.getvalue(), fname, order

        options = _available_sections()
        selected_sheets = st.multiselect(
            "Sheets to include",
            options=options, default=[],
            placeholder="Choose option(s)",
            help="Pick the sheets you want to include in the Excel export.",
            key="sheets_dev",
        )
        if not selected_sheets:
            st.caption("Select one or more sheets above to enable the export.")
            st.download_button("⬇️ Export Excel", data=b"", file_name="TOC_Export.xlsx",
                               mime="application/vnd.openxmlformats-officedocument.spreadsheetml.sheet",
                               disabled=True, key="download_dev_disabled")
        else:
            data, fname, names = build_export_workbook(selected=selected_sheets)
            if names: st.caption("Will include: " + ", ".join(names))
            st.download_button("⬇️ Export Excel", data=(data or b""), file_name=(fname or "TOC_Export.xlsx"),
                               mime="application/vnd.openxmlformats-officedocument.spreadsheetml.sheet",
                               disabled=(data is None), key="download_dev")

# =========================
# VALIDATION (with actual TOC)
# =========================
if st.session_state.app_step == "validate":
    st.sidebar.header("Validate the Model")
    up = st.sidebar.file_uploader("Upload Validation Excel", type=["xlsx","xls"])
    if up is not None:
        book = read_book_bytes(up.getvalue())
        if book:
            df0 = next(iter(book.values()))
            st.sidebar.caption(f"**Data loaded:** {up.name} • {df0.shape[0]} rows × {df0.shape[1]} cols")
    if st.sidebar.button("Preview data", use_container_width=True, disabled=(up is None)):
        st.session_state.show_preview_modal = True
    go_btn = st.sidebar.button("Predict & Validate", type="primary", use_container_width=True)
    if st.sidebar.button("⬅ Back to Case Building", use_container_width=True): st.session_state.app_step="dev"; st.rerun()
    if st.sidebar.button("Proceed to Prediction ▶", use_container_width=True): st.session_state.app_step="predict"; st.rerun()

    sticky_header("Validate the Model", "Upload a dataset with the same **features** and **TOC** to evaluate performance.")

    if go_btn and up is not None:
        book = read_book_bytes(up.getvalue())
        name = find_sheet(book, ["Validation","Validate","validation2","Val","val"]) or list(book.keys())[0]
        df_raw = book[name].copy()

        if not ensure_required_features(df_raw, model, FEATURES):
            st.stop()

        df = normalize_to_abbr(df_raw)
        df[PRED_COL] = safe_predict(model, df_raw, FEATURES)
        st.session_state.results["Validate"]=df

        ranges = st.session_state.train_ranges; oor_pct = 0.0; tbl=None
        if ranges:
            any_viol = pd.DataFrame({f:(df[f]<ranges[f][0])|(df[f]>ranges[f][1]) for f in FEATURES if f in df.columns}).any(axis=1)
            oor_pct = float(any_viol.mean()*100.0)
            if any_viol.any():
                tbl = df.loc[any_viol, [c for c in FEATURES if c in df.columns]].copy()
                for c in [c for c in FEATURES if c in tbl.columns]:
                    if pd.api.types.is_numeric_dtype(tbl[c]): tbl[c] = tbl[c].round(2)
                tbl["Violations"] = pd.DataFrame({f:(df[f]<ranges[f][0])|(df[f]>ranges[f][1]) for f in FEATURES if f in df.columns}).loc[any_viol].apply(
                    lambda r:", ".join([c for c,v in r.items() if v]), axis=1
                )
        st.session_state.results["m_val"]={
            "R":    pearson_r(df[TARGET], df[PRED_COL]),
            "RMSE": rmse(df[TARGET], df[PRED_COL]),
            "MAPE": mape(df[TARGET], df[PRED_COL])
        }
        st.session_state.results["sv_val"]={"n":len(df), "pred_min":float(df[PRED_COL].min()), "pred_max":float(df[PRED_COL].max()), "oor":oor_pct}
        st.session_state.results["oor_tbl"]=tbl

    if "Validate" in st.session_state.results:
        m = st.session_state.results["m_val"]
        c1,c2,c3 = st.columns(3)
        c1.metric("R", f"{m['R']:.3f}")
        c2.metric("RMSE", f"{m['RMSE']:.2f}")
        c3.metric("MAPE (%)", f"{m['MAPE']:.2f}%")
        st.markdown("""
            <div style='text-align: left; font-size: 0.8em; color: #6b7280; margin-top: -16px; margin-bottom: 8px;'>
                <strong>R:</strong> Pearson Correlation Coefficient<br>
                <strong>RMSE:</strong> Root Mean Square Error<br>
                <strong>MAPE:</strong> Mean Absolute Percentage Error (percent of actual; rows with near-zero actuals are ignored).
            </div>
        """, unsafe_allow_html=True)

        col_track, col_cross = st.columns([2, 3], gap="large")
        with col_track:
            st.plotly_chart(track_plot(st.session_state.results["Validate"], include_actual=True),
                            use_container_width=False, config={"displayModeBar": False, "scrollZoom": True})
        with col_cross:
            st.pyplot(cross_plot_static(st.session_state.results["Validate"][TARGET],
                                        st.session_state.results["Validate"][PRED_COL]),
                      use_container_width=False)

        st.divider()
        st.markdown("### Export to Excel")

        def _export_val():
            res = st.session_state.get("results", {})
            sheets = {}
            sheets["Validation"] = res["Validate"]
            sheets["Validation_Metrics"] = pd.DataFrame([res.get("m_val", {})])
            if "sv_val" in res: sheets["Validation_Summary"] = pd.DataFrame([res["sv_val"]])
            if isinstance(res.get("oor_tbl"), pd.DataFrame) and not res["oor_tbl"].empty:
                sheets["Validation_OOR"] = res["oor_tbl"].reset_index(drop=True)
            sheets["Info"] = pd.DataFrame([
                {"Key":"AppName","Value":APP_NAME},
                {"Key":"Target","Value":TARGET},
                {"Key":"PredColumn","Value":PRED_COL},
                {"Key":"ExportedAt","Value":datetime.now().strftime("%Y-%m-%d %H:%M:%S")},
            ])
            bio = io.BytesIO()
            engine = _excel_engine()
            with pd.ExcelWriter(bio, engine=engine) as writer:
                for k,v in sheets.items():
                    v.to_excel(writer, sheet_name=k[:31], index=False)
            bio.seek(0)
            return bio.getvalue(), f"TOC_Validation_{datetime.now().strftime('%Y%m%d_%H%M%S')}.xlsx"

        data_x, fn_x = _export_val()
        st.download_button("⬇️ Export Excel", data=data_x, file_name=fn_x,
                           mime="application/vnd.openxmlformats-officedocument.spreadsheetml.sheet")

        sv = st.session_state.results["sv_val"]
        if sv["oor"] > 0: st.markdown('<div class="st-message-box st-warning">Some inputs fall outside **training min–max** ranges.</div>', unsafe_allow_html=True)
        if st.session_state.results["oor_tbl"] is not None:
            st.write("*Out-of-range rows (vs. Training min–max):*")
            df_centered_rounded(st.session_state.results["oor_tbl"])

# =========================
# PREDICTION (no actual TOC)
# =========================
if st.session_state.app_step == "predict":
    st.sidebar.header("Prediction (No Actual TOC)")
    up = st.sidebar.file_uploader("Upload Prediction Excel", type=["xlsx","xls"])
    if up is not None:
        book = read_book_bytes(up.getvalue())
        if book:
            df0 = next(iter(book.values()))
            st.sidebar.caption(f"**Data loaded:** {up.name} • {df0.shape[0]} rows × {df0.shape[1]} cols")
    if st.sidebar.button("Preview data", use_container_width=True, disabled=(up is None)):
        st.session_state.show_preview_modal = True
    go_btn = st.sidebar.button("Predict", type="primary", use_container_width=True)
    if st.sidebar.button("⬅ Back to Case Building", use_container_width=True): st.session_state.app_step="dev"; st.rerun()

    sticky_header("Prediction", "Upload a dataset with the feature columns (no **TOC**).")

    if go_btn and up is not None:
        book = read_book_bytes(up.getvalue()); name = list(book.keys())[0]
        df_raw = book[name].copy()

        if not ensure_required_features(df_raw, model, FEATURES):
            st.stop()

        df = normalize_to_abbr(df_raw)
        df[PRED_COL] = safe_predict(model, df_raw, FEATURES)
        st.session_state.results["PredictOnly"]=df

        ranges = st.session_state.train_ranges; oor_pct = 0.0
        if ranges:
            any_viol = pd.DataFrame({f:(df[f]<ranges[f][0])|(df[f]>ranges[f][1]) for f in FEATURES if f in df.columns}).any(axis=1)
            oor_pct = float(any_viol.mean()*100.0)
        st.session_state.results["sv_pred"]={
            "n":len(df),
            "pred_min":float(df[PRED_COL].min()),
            "pred_max":float(df[PRED_COL].max()),
            "pred_mean":float(df[PRED_COL].mean()),
            "pred_std":float(df[PRED_COL].std(ddof=0)),
            "oor":oor_pct
        }

    if "PredictOnly" in st.session_state.results:
        df = st.session_state.results["PredictOnly"]; sv = st.session_state.results["sv_pred"]

        col_left, col_right = st.columns([2,3], gap="large")
        with col_left:
            table = pd.DataFrame({
                "Metric": ["# points","Pred min","Pred max","Pred mean","Pred std","OOR %"],
                "Value": [sv["n"], round(sv["pred_min"],2), round(sv["pred_max"],2),
                          round(sv["pred_mean"],2), round(sv["pred_std"],2), f'{sv["oor"]:.1f}%']
            })
            st.markdown('<div class="st-message-box st-success">Predictions ready ✓</div>', unsafe_allow_html=True)
            df_centered_rounded(table, hide_index=True)
            st.caption("**★ OOR** = % of rows whose input features fall outside the training min–max range.")
        with col_right:
            st.plotly_chart(track_plot(df, include_actual=False),
                            use_container_width=False, config={"displayModeBar": False, "scrollZoom": True})

        st.divider()
        def _export_pred():
            res = st.session_state.get("results", {})
            sheets = {"Prediction": res["PredictOnly"], "Prediction_Summary": pd.DataFrame([sv])}
            sheets["Info"] = pd.DataFrame([
                {"Key":"AppName","Value":APP_NAME},
                {"Key":"Target","Value":TARGET},
                {"Key":"PredColumn","Value":PRED_COL},
                {"Key":"ExportedAt","Value":datetime.now().strftime("%Y-%m-%d %H:%M:%S")},
            ])
            bio = io.BytesIO()
            engine = _excel_engine()
            with pd.ExcelWriter(bio, engine=engine) as writer:
                for k,v in sheets.items():
                    v.to_excel(writer, sheet_name=k[:31], index=False)
            bio.seek(0)
            return bio.getvalue(), f"TOC_Prediction_{datetime.now().strftime('%Y%m%d_%H%M%S')}.xlsx"

        data_x, fn_x = _export_pred()
        st.download_button("⬇️ Export Excel", data=data_x, file_name=fn_x,
                           mime="application/vnd.openxmlformats-officedocument.spreadsheetml.sheet")

# =========================
# Preview modal
# =========================
if st.session_state.show_preview_modal:
    book_to_preview = {}
    if st.session_state.app_step == "dev":
        book_to_preview = read_book_bytes(st.session_state.dev_file_bytes)
    elif st.session_state.app_step in ["validate", "predict"] and 'up' in locals() and up is not None:
        book_to_preview = read_book_bytes(up.getvalue())

    with st.expander("Preview data", expanded=True):
        if not book_to_preview:
            st.markdown('<div class="st-message-box">No data loaded yet.</div>', unsafe_allow_html=True)
        else:
            names = list(book_to_preview.keys())
            tabs = st.tabs(names)
            for t, name in zip(tabs, names):
                with t:
                    df = normalize_to_abbr(book_to_preview[name])
                    t1, t2 = st.tabs(["Tracks", "Summary"])
                    with t1:
                        st.pyplot(preview_tracks(df, FEATURES), use_container_width=True)
                    with t2:
                        feat_present = [c for c in FEATURES if c in df.columns]
                        if not feat_present:
                            st.info("No feature columns found to summarize.")
                        else:
                            tbl = (
                                df[feat_present]
                                  .agg(['min','max','mean','std'])
                                  .T.rename(columns={"min":"Min","max":"Max","mean":"Mean","std":"Std"})
                                  .reset_index(names="Feature")
                            )
                            df_centered_rounded(tbl)

    st.session_state.show_preview_modal = False

# =========================
# Footer
# =========================
st.markdown("""
<br><br><br>
<hr>
<div style='text-align:center;color:#6b7280;font-size:1.0em;'>
    © 2025 Smart Thinking AI-Solutions Team. All rights reserved.<br>
    Website: <a href="https://smartthinking.com.sa" target="_blank" rel="noopener noreferrer">smartthinking.com.sa</a>
</div>
""", unsafe_allow_html=True)