app.py

import streamlit as st

# ==========================================
# 0. PAGE CONFIGURATION & STYLING
# ==========================================
st.set_page_config(
    page_title="Pili-Pili Quantum Solver | Ahilan Kumaresan",
    page_icon="🍟",
    layout="wide",
    initial_sidebar_state="expanded"
)

import numpy as np
import matplotlib.pyplot as plt
import math
import time

try:
    import mediapipe as mp
    import cv2
    import plotly.graph_objects as go
    from plotly.subplots import make_subplots
except ImportError as e:
    st.error(f"CRITICAL ERROR: Failed to import required libraries. {e}")
    st.stop()

# Import physics engine
try:
    import functions as f
except ImportError as e:
    st.error(f"CRITICAL ERROR: Failed to import physics engine. {e}")
    st.stop()


# ==========================================
# 0. SESSION STATE (for camera flow)
# ==========================================
if 'countdown_finished' not in st.session_state:
    st.session_state.countdown_finished = False
if 'V_user_defined' not in st.session_state:
    st.session_state.V_user_defined = None

# Custom CSS for a professional look
st.markdown("""

    <style>

    .main {

        background-color: #0e1117;

    }

    .stButton>button {

        width: 100%;

        border-radius: 5px;

        height: 3em;

        background-color: #262730;

        color: white;

        border: 1px solid #4b4b4b;

    }

    .stButton>button:hover {

        border-color: #00ADB5;

        color: #00ADB5;

    }

    h1, h2, h3 {

        color: #00ADB5;

        font-family: 'Helvetica Neue', sans-serif;

    }

    </style>

    """, unsafe_allow_html=True)

# ==========================================
# 1. SIDEBAR: PERSONALIZATION & NAV
# ==========================================
with st.sidebar:
    st.title("Quantum Solver 2.0")
    st.caption("v2.1 - HF Fix")
    st.markdown("---")
    
    # Navigation
    page = st.radio("Navigation", ["Simulator", "Benchmarks & Verification", "Theory & Method"])
    
    st.markdown("---")
    
    # Author Profile
    st.markdown("### About Moi")
    st.markdown("""

    **Ahilan Kumaresan**

    

    *Aspiring Mathematical & Computational Physicist*

    

    Developing Interative and accurate numerical tools for quantum mechanics.

    """)
    
    st.info("Verified against Analytical Solutions & QMSolve Package.")

# ==========================================
# 2. HELPER FUNCTIONS (Plotting)
# ==========================================
def plot_interactive(E, psi, V, x, nos=5):
    """

    Creates a professional interactive Plotly chart for wavefunctions and energy levels.

    """
    # Limit states
    states = min(nos, len(E))
    
    # Create subplots: Main plot (Potential + Psi) and Side plot (Energy Levels)
    fig = make_subplots(
        rows=1, cols=2, 
        column_widths=[0.8, 0.2],
        shared_yaxes=True,
        horizontal_spacing=0.02,
        subplot_titles=("Wavefunctions & Potential", "Energy Spectrum")
    )

    # Scaling factor for wavefunctions
    if len(E) >= 2:
        scale = (E[1] - E[0]) * 0.4
    else:
        scale = max(E[0] * 0.1, 0.5)
        
    max_E = E[states-1] if states > 0 else 10
    window_height = max_E * 1.5

    # Get x coordinates for internal points (matching psi dimensions)
    x_internal = x[1:-1]
    V_internal = V[1:-1]
    
    # 1. Plot Potential V(x) - using internal points for better visibility
    V_clipped = np.clip(V_internal, 0, window_height)
    
    fig.add_trace(
        go.Scatter(
            x=x_internal.tolist() if hasattr(x_internal, 'tolist') else x_internal, 
            y=V_clipped.tolist() if hasattr(V_clipped, 'tolist') else V_clipped,
            mode='lines',
            name='V(x)',
            line=dict(color='#FFFFFF', width=2.5),
            hovertemplate='V(x): %{y:.2f}<extra></extra>'
        ),
        row=1, col=1
    )

    # 2. Plot Wavefunctions (shifted by Energy)
    colors = ['#00ADB5', '#FF2E63', '#F38181', '#FCE38A', '#EAFFD0', 
              '#95E1D3', '#FFB6C1', '#DDA0DD', '#87CEEB', '#98FB98']
    
    for n in range(states):
        # Normalize wavefunction amplitude
        psi_n = psi[:, n]
        max_amp = np.max(np.abs(psi_n))
        if max_amp > 1e-9:
            psi_n = psi_n / max_amp
        else:
            psi_n = psi_n
            
        # Shift by energy
        y_shifted = psi_n * scale + E[n]
        
        # Hide where potential is infinite
        y_shifted[V_internal > 1e5] = np.nan

        color = colors[n % len(colors)]
        
        # Ensure arrays match in length
        if len(x_internal) != len(y_shifted):
            # Fallback: truncate to minimum length
            min_len = min(len(x_internal), len(y_shifted))
            x_plot = x_internal[:min_len]
            y_plot = y_shifted[:min_len]
        else:
            x_plot = x_internal
            y_plot = y_shifted
        
        fig.add_trace(
            go.Scatter(
                x=x_plot.tolist() if hasattr(x_plot, 'tolist') else x_plot, 
                y=y_plot.tolist() if hasattr(y_plot, 'tolist') else y_plot,
                mode='lines',
                name=f'n={n+1}, E={E[n]:.4f}',
                line=dict(color=color, width=2),
                hovertemplate=f'n={n+1}<br>E={E[n]:.4f}<br>x: %{{x:.2f}}<br>ψ: %{{y:.2f}}<extra></extra>'
            ),
            row=1, col=1
        )
        
        # Add Energy Level to Side Bar
        fig.add_trace(
            go.Scatter(
                x=[0, 1], y=[E[n], E[n]],
                mode='lines',
                line=dict(color=color, width=3),
                showlegend=False,
                hovertemplate=f'E_{n+1}={E[n]:.4f}<extra></extra>'
            ),
            row=1, col=2
        )

    # Layout Styling - Enhanced dark mode
    fig.update_layout(
        template="plotly_dark",
        height=600,
        margin=dict(l=20, r=20, t=50, b=20),
        legend=dict(
            orientation="h", 
            yanchor="bottom",
            y=1.02,
            xanchor="right",
            x=1,
            font=dict(size=10)
        ),
        hovermode="closest",
        plot_bgcolor='#0e1117',
        paper_bgcolor='#0e1117',
        font=dict(color='#FAFAFA')
    )
    
    fig.update_xaxes(
        title_text="Position (a.u.)", 
        row=1, col=1,
        gridcolor='#2a2a2a',
        showgrid=True
    )
    fig.update_xaxes(
        showticklabels=False, 
        row=1, col=2,
        showgrid=False
    )
    fig.update_yaxes(
        title_text="Energy (Hartree)", 
        range=[0, max_E * 1.2], 
        row=1, col=1,
        gridcolor='#2a2a2a',
        showgrid=True
    )
    
    return fig

# ==========================================
# 3. HELPER: MediaPipe hand → 1D potential
# ==========================================
def process_frame_to_potential(frame):
    """

    Takes a BGR frame (OpenCV) and returns:

      pot_profile: 1D array in [0,1] representing V(x) profile

      msg: human-friendly label

    Modes:

      - 2 hands → Square well (0 inside, 1 outside)

      - 1 hand → QHO-like parabola

    """
    try:
        mp_hands = mp.solutions.hands
        with mp_hands.Hands(max_num_hands=2, min_detection_confidence=0.5) as hands:
            h, w, _ = frame.shape
            rgb = cv2.cvtColor(frame, cv2.COLOR_BGR2RGB)
            res = hands.process(rgb)

            if not res.multi_hand_landmarks:
                return None, "No Hands Detected, But Cute Smile :)"

            # --- LOGIC: Square Well vs QHO ---
            
            # 1. Square Well (2 Hands)
            if len(res.multi_hand_landmarks) >= 2:
                INDEX_TIP_ID = 8
                x_coords = [lm.landmark[INDEX_TIP_ID].x * w for lm in res.multi_hand_landmarks]
                x_coords.sort()
                
                xL_hand, xR_hand = x_coords[0], x_coords[1]
                well_width = xR_hand - xL_hand
                
                center_screen = w / 2
                centered_L = center_screen - (well_width / 2)
                centered_R = center_screen + (well_width / 2)
                
                x_space = np.linspace(0, w, 400)
                pot_profile = np.ones_like(x_space)
                pot_profile[(x_space > centered_L) & (x_space < centered_R)] = 0
                
                return pot_profile, "Square Well (Captured)"

            # 2. Harmonic Oscillator (1 Hand)
            elif len(res.multi_hand_landmarks) == 1:
                lm = res.multi_hand_landmarks[0]
                THUMB = lm.landmark[4]
                INDEX = lm.landmark[8]
                
                dx = INDEX.x - THUMB.x
                dy = INDEX.y - THUMB.y
                dist = math.sqrt(dx**2 + dy**2)
                
                # Map pinch distance → curvature
                A = np.interp(dist, [0.05, 0.3], [100.0, 1.0]) 
                
                x_space = np.linspace(-1, 1, 400)
                pot_profile = A * (x_space**2)
                
                pot_profile = np.clip(pot_profile, 0, 100)
                pot_profile = pot_profile / 100.0  # normalize 0..1
                
                return pot_profile, f"Harmonic Oscillator (k={A:.1f})"
                
    except Exception as e:
        return None, f"MediaPipe Error: {e}"
            
    return None, "Error"

# ==========================================
# 4. PAGE: SIMULATOR
# ==========================================
if page == "Simulator":
    st.title("Pili-Pili - Quantum Potential Solver")
    st.markdown("Show a potential with your hands or select a preset to solve the **Time-Independent Schrödinger Equation**.")

    # Shared grid for all modes
    L = 50
    N_GRID = 1000
    x_full, dx, x_internal = f.make_grid(L, N_GRID)

    V_full_to_solve = None
    status_msg = ""
    
    col1, col2 = st.columns([1, 3])

    with col1:
        st.subheader("Controls")
        
        # Settings
        potential_mode = st.selectbox(
            "Potential Type",
            [
                "Static Square Well",
                "Static Harmonic Oscillator",
                "Double Well",
                "Hand Gesture (Camera)"
            ]
        )
        
        nos_user = st.slider("Eigenstates to Plot", 1, 10, 5)

        # ---- STATIC MODES ----
        if potential_mode == "Static Square Well":
            width = st.slider("Well Width", 1.0, 20.0, 10.0)
            V_physics = np.zeros_like(x_internal)
            V_physics[np.abs(x_internal) > width/2] = 200
            V_full_to_solve = np.pad(V_physics, (1,1), constant_values=1e10)
            status_msg = f"Static Square Well (width = {width:.1f})"
            
        elif potential_mode == "Static Harmonic Oscillator":
            k = st.slider("Spring Constant (k)", 0.1, 50.0, 5.0)
            V_physics = 0.5 * k * x_internal**2
            # scale a bit so it shows nicely under energies
            V_physics = V_physics / np.max(V_physics) * 50
            V_full_to_solve = np.pad(V_physics, (1,1), constant_values=1e10)
            status_msg = f"Static Harmonic Oscillator (k = {k:.2f})"

        elif potential_mode == "Double Well":
            sep = st.slider("Separation", 0.5, 5.0, 2.0)
            depth = st.slider("Depth", 0.1, 5.0, 1.0)
            V_physics = depth * ((x_internal**2 - sep**2)**2)
            V_physics = V_physics / np.max(V_physics) * 50
            V_full_to_solve = np.pad(V_physics, (1,1), constant_values=1e10)
            status_msg = f"Double Well (sep = {sep:.2f}, depth = {depth:.2f})"

        # ---- HAND-GESTURE / CAMERA MODE ----
        elif potential_mode == "Hand Gesture (Camera)":
            st.subheader("Hand Gesture Controls")
            st.info(
                "1. Click **'Start Countdown'**. (IGNORE)\n"
                "2. Get your **two hands** ready for a Square Well, "
                "or **one-hand pinch** for a Harmonic Oscillator.\n"
                "3. When you'r ready, use **'Take a snapshot'**."
            )


            st.subheader("Hand Gesture Input")

            img_file = st.camera_input("Take a Snapshot")

            if img_file:
                file_bytes = np.asarray(bytearray(img_file.read()), dtype=np.uint8)
                frame = cv2.imdecode(file_bytes, 1)
                frame = cv2.flip(frame, 1)

                V_raw, msg = process_frame_to_potential(frame)

                if V_raw is not None:
                    st.success(f"Detected: {msg}")
                    st.session_state.V_user_defined = V_raw

                    # Map to simulation grid
                    V_interpolated = np.interp(
                        np.linspace(0, 1, len(x_internal)),
                        np.linspace(0, 1, len(V_raw)),
                        V_raw
                    )
                    V_physics = V_interpolated * 200.0
                    V_full_to_solve = np.pad(V_physics, (1,1), constant_values=1e10)
                    status_msg = f"Camera Potential: {msg}"
                else:
                    st.error(msg)


    # --------- RIGHT COLUMN: SOLVE & PLOT ----------
    with col2:
        if V_full_to_solve is not None:
            start_time = time.time()
            T = f.kinetic_operator(len(x_internal), dx)
            E, psi = f.solve(T, V_full_to_solve, dx)
            solve_time = time.time() - start_time
            
            if status_msg:
                st.markdown(f"**Potential:** {status_msg}")
            st.markdown(f"**Solver Status:** ✅ Converged in {solve_time:.3f} s")
            
            fig = plot_interactive(E, psi, V_full_to_solve, x_full, nos=nos_user)
            st.plotly_chart(fig, use_container_width=True)
            
            # Eigenenergies panel
            st.markdown("### Eigenenergies")
            cols = st.columns(nos_user)
            for i in range(nos_user):
                if i < len(E):
                    cols[i].metric(f"n={i}", f"{E[i]:.4f} Ha")
        else:
            if potential_mode == "Hand Gesture (Camera)":
                st.info("Follow the instructions on the left to capture a potential from your hands.")
            else:
                st.info("Select parameters on the left to generate a potential and solve.")

# ==========================================
# 5. PAGE: BENCHMARKS
# ==========================================
elif page == "Benchmarks & Verification":
    st.title("🛡️ Verification & Accuracy")
    st.markdown("""

    This solver has been rigorously tested against known analytical solutions and external libraries to ensure physical accuracy.

    """)
    
    tab1, tab2, tab3 = st.tabs(["Analytical Benchmarks", "QMSolve Comparison", "Code"])
    
    with tab1:
        st.subheader("1. Infinite Square Well")
        st.markdown("Particle in a box of length $L=20$. Error < 0.003%.")
        st.table({
            "State (n)": [1, 2, 3, 4, 5],
            "Analytic E": [0.012337, 0.049348, 0.111033, 0.197392, 0.308425],
            "Numerical E": [0.012337, 0.049348, 0.111032, 0.197389, 0.308419],
            "% Error": ["0.0001%", "0.0003%", "0.0007%", "0.0013%", "0.0021%"]
        })
        
        st.subheader("2. Harmonic Oscillator")
        st.markdown("Standard QHO with $k=1$. Error < 0.02%.")
        st.table({
            "State (n)": [0, 1, 2, 3, 4],
            "Analytic E": [0.5, 1.5, 2.5, 3.5, 4.5],
            "Numerical E": [0.499980, 1.499902, 2.499746, 3.499512, 4.499200],
            "% Error": ["0.0039%", "0.0065%", "0.0101%", "0.0139%", "0.0178%"]
        })

    with tab2:
        st.subheader("Cross-Verification: Double Well Potential")
        st.markdown("""

        Comparison with the Python package `QMSolve` for a Double Well potential (no simple analytic solution).

        **Agreement within 0.25%**.

        """)
        
        col_a, col_b = st.columns(2)
        with col_a:
            st.markdown("**Parameters:** $V(x) = 2(x^2 - 1)^2$")
            st.table({
                "State (n)": [0, 1, 2, 3, 4],
                "psi_solve2 (Ha)": [1.400886, 2.092533, 4.455252, 6.917808, 9.872632],
                "QMSolve (Ha)": [1.402472, 2.097767, 4.466368, 6.936807, 9.900227],
                "% Difference": ["0.11%", "0.25%", "0.25%", "0.27%", "0.28%"]
            })
        with col_b:
            st.info("Note: QMSolve uses eV units. Results were converted to Hartree (1 Ha ≈ 27.211 eV) for comparison.")

    with tab3:
        st.subheader("Code Verification")
        st.code("""

def kinetic_operator(N, dx, hbar=1, m=1):

    # 3-point central difference stencil for 2nd derivative

    main_diagonal = (1/dx**2) * np.diag(-2 * np.ones(N))

    off_diagonal1 = (1/dx**2) * np.diag(np.ones(N-1), -1)

    off_diagonal2 = (1/dx**2) * np.diag(np.ones(N-1), 1)

    D2 = (main_diagonal + off_diagonal1 + off_diagonal2)

    

    # Kinetic Energy Operator T = -hbar^2 / 2m * d^2/dx^2

    T = (-(hbar**2 / (2*m)) * D2)

    return T

        """, language="python")
        st.code("""

def harmonic(x,k,center=0.0):

    # A Parabola, setting the global k-value.

    global Last_k_value

    Last_k_value = k

    

    constant_factor = 1 

    potential = 0.5*k*(x - center)**2

    return constant_factor * potential

""")
        
        
        
# ==========================================
# 6. PAGE: THEORY
# ==========================================
elif page == "Theory & Method":
    st.title("📖 Theory & Methodology")
    
    st.markdown("### The Time-Independent Schrödinger Equation")
    st.latex(r" \hat{H}\psi(x) = E\psi(x) ")
    st.latex(r" \left[ -\frac{\hbar^2}{2m}\frac{d^2}{dx^2} + V(x) \right]\psi(x) = E\psi(x) ")
    
    st.markdown("### Numerical Method: Finite Difference")
    st.markdown(r"""

    We discretize the spatial domain $x$ into a grid of $N$ points. The second derivative is approximated using the **Central Difference Formula**:

    """)
    st.latex(r" \frac{d^2\psi}{dx^2} \approx \frac{\psi_{i+1} - 2\psi_i + \psi_{i-1}}{\Delta x^2} ")
    
    st.markdown(r"""

    This transforms the differential operator into a **Tridiagonal Matrix** equation:

    """)
    st.latex(r" \mathbf{H}\mathbf{\psi} = E\mathbf{\psi} ")
    
    st.markdown(r"""

    Where $\mathbf{H}$ is an $N \times N$ matrix. We then use `numpy.linalg.eigh` to solve for the eigenvalues ($E$) and eigenvectors ($\psi$).

    """)
    
    st.markdown("### Implementation Details")
    st.markdown(r"""

    - **Grid Size:** Dynamic (default 1000–2000 points)

    - **Boundary Conditions:** Dirichlet ($ \psi(0) = \psi(L) = 0 $) via infinite walls at grid edges.

    - **Units:** Hartree Atomic Units ($\hbar=1, m=1$).

    """)