unknown commited on
Commit ·
1654557
1
Parent(s): 0c157e9
UI Structure Optimization: Split Pane & Empty State
Browse files- assets/style.css +167 -97
- streamlit_app.py +122 -156
assets/style.css
CHANGED
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/* Nordic Minimalism Theme for Pharma K */
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/*
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:root {
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--primary-color: #008080;
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--text-main: #2C3E50;
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--text-
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--bg-main: #
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--card-bg: #FFFFFF;
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--shadow-
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--
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}
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/* Global Reset & Typography */
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.stApp {
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background-color: var(--bg-main);
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font-family:
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color: var(--text-main);
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}
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/*
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.block-container {
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padding-
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}
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/* -------------------
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------------------- */
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}
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}
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border-radius: 8px;
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color: var(--text-main);
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font-weight: 500;
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}
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}
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/*
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font-weight: 700 !important;
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margin-bottom:
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}
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}
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background: var(--card-bg);
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border-radius: var(--radius-main);
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}
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/*
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border-radius: 8px;
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}
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.stTextInput
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border-color: var(--primary-color);
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box-shadow: 0 0 0
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}
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/*
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border: none !important;
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transition: all 0.2s
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}
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transform: translateY(-1px);
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box-shadow: 0 6px
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background-color: #006666 !important;
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}
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}
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background-color: transparent !important;
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border: 1px solid var(--primary-color) !important;
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color: var(--primary-color) !important;
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}
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/* Footer Branding */
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footer {visibility: hidden;}
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.pharma-k-footer {
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text-align: center;
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border-top: 1px solid #EAEAEA;
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margin-top: 60px;
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}
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/* -------------------
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Report Area (Preview)
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------------------- */
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.report-preview-box {
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background: white;
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padding: 40px;
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border-radius: 4px; /* A4 paper look */
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box-shadow: 0 2px 15px rgba(0,0,0,0.08);
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border: 1px solid #EAEAEA;
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margin-top: 20px;
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}
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/* Nordic Minimalism Theme for Pharma K - Final Polish */
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/* -----------------------------------------------------------
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1. Global Variables & Reset
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----------------------------------------------------------- */
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:root {
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--primary-color: #008080;
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/* Teal */
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--primary-dark: #005f5f;
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--text-main: #2C3E50;
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--text-light: #7F8C8D;
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--bg-main: #F4F6F8;
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/* Light gray-blue hue for depth */
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--card-bg: #FFFFFF;
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--shadow-card: 0 4px 20px rgba(0, 0, 0, 0.05);
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--border-radius: 12px;
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--font-stack: 'Inter', 'PingFang SC', 'Microsoft YaHei', sans-serif;
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}
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.stApp {
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background-color: var(--bg-main);
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font-family: var(--font-stack);
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color: var(--text-main);
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}
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/* -----------------------------------------------------------
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2. Layout Constraints (Max Width)
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----------------------------------------------------------- */
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.block-container {
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max-width: 1280px !important;
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padding-top: 3rem !important;
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padding-bottom: 5rem !important;
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}
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/* -----------------------------------------------------------
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3. Header Styling (Centered & Clean)
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----------------------------------------------------------- */
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.main-header {
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text-align: center;
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margin-bottom: 3rem;
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background: transparent;
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padding: 0;
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}
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.main-header h1 {
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font-size: 2.2rem;
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font-weight: 800;
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color: var(--primary-color);
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margin: 0;
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letter-spacing: -0.02em;
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}
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.main-header p {
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font-size: 1rem;
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color: var(--text-light);
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margin-top: 0.5rem;
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font-weight: 500;
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}
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/* -----------------------------------------------------------
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4. Column Cards (The "Paper" Look)
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----------------------------------------------------------- */
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/*
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We target the direct children of columns.
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Note: This selector usually works for the container inside a column
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*/
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[data-testid="column"] {
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background-color: var(--card-bg);
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border-radius: var(--border-radius);
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padding: 1.5rem !important;
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box-shadow: var(--shadow-card);
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border: 1px solid rgba(0, 0, 0, 0.03);
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transition: transform 0.2s ease, box-shadow 0.2s ease;
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}
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/* Fix for nested columns (e.g. buttons) - Reset card style */
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[data-testid="column"] [data-testid="column"] {
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background-color: transparent !important;
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box-shadow: none !important;
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border: none !important;
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padding: 0 !important;
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border-radius: 0 !important;
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}
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[data-testid="column"]:hover {
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box-shadow: 0 8px 25px rgba(0, 0, 0, 0.08);
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z-index: 10;
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}
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/* Disable hover effect for nested columns */
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[data-testid="column"] [data-testid="column"]:hover {
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box-shadow: none !important;
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transform: none !important;
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}
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/* Adjust headings inside columns */
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[data-testid="column"] h3 {
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font-size: 1.1rem !important;
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font-weight: 700 !important;
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padding-bottom: 1rem;
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border-bottom: 1px solid #eee;
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margin-bottom: 1.5rem;
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color: var(--text-main);
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}
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/* -----------------------------------------------------------
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5. Sidebar Styling
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section[data-testid="stSidebar"] {
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background-color: white;
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border-right: 1px solid #eee;
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}
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section[data-testid="stSidebar"] [data-testid="stMarkdownContainer"] h1 {
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font-size: 1.2rem !important;
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}
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/* -----------------------------------------------------------
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6. Input Fields & Form Elements
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----------------------------------------------------------- */
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.stTextInput input,
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.stTextArea textarea,
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.stSelectbox div[data-baseweb="select"] {
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background-color: #F9FAFB;
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border: 1px solid #E5E7EB;
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border-radius: 8px;
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color: var(--text-main);
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font-size: 0.95rem;
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}
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.stTextInput input:focus,
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.stTextArea textarea:focus {
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border-color: var(--primary-color);
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box-shadow: 0 0 0 3px rgba(0, 128, 128, 0.1);
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background-color: white;
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}
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/* -----------------------------------------------------------
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7. Buttons
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----------------------------------------------------------- */
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/* Primary Action Button */
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button[kind="primary"] {
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background: var(--primary-color) !important;
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border: none !important;
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box-shadow: 0 4px 6px rgba(0, 128, 128, 0.2);
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font-weight: 600;
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letter-spacing: 0.02em;
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padding: 0.6rem 1.2rem;
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transition: all 0.2s;
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}
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button[kind="primary"]:hover {
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background: var(--primary-dark) !important;
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transform: translateY(-1px);
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box-shadow: 0 6px 12px rgba(0, 128, 128, 0.25);
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}
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/* Secondary / Pill Buttons (Quick Actions) */
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/* Requires type="secondary" in logic */
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button[kind="secondary"] {
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background: white !important;
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border: 1px solid #E5E7EB !important;
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color: var(--text-main) !important;
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border-radius: 50px !important;
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/* Pill shape */
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font-size: 0.85rem !important;
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padding: 0.25rem 0.75rem !important;
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height: auto !important;
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min-height: 2rem;
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box-shadow: none !important;
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}
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button[kind="secondary"]:hover {
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border-color: var(--primary-color) !important;
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color: var(--primary-color) !important;
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background-color: #F0FDFA !important;
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}
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/* -----------------------------------------------------------
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8. Tabs
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----------------------------------------------------------- */
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.stTabs [data-baseweb="tab-list"] {
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gap: 1rem;
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border-bottom: 1px solid #eee;
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margin-bottom: 1.5rem;
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}
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.stTabs [data-baseweb="tab"] {
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height: 3rem;
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font-weight: 500;
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color: var(--text-light);
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border: none;
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background: transparent;
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}
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.stTabs [aria-selected="true"] {
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color: var(--primary-color) !important;
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border-bottom: 2px solid var(--primary-color) !important;
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font-weight: 600;
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}
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/* -----------------------------------------------------------
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9. Footer
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----------------------------------------------------------- */
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footer {
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visibility: hidden;
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}
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.pharma-k-footer {
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border-top: 1px solid #eee;
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padding-top: 2rem;
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margin-top: 3rem;
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text-align: center;
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color: var(--text-light);
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font-size: 0.85rem;
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}
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streamlit_app.py
CHANGED
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st.markdown("---")
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# ========== Main Header ==========
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# ========== Main Header ==========
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st.markdown("""
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<div class="main-header">
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<
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</div>
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""", unsafe_allow_html=True)
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# Main content -
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col_input, col_output = st.columns([
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with col_input:
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st.
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# Analysis mode tabs
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tab_compat, tab_stability, tab_general = st.tabs([
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])
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with tab_compat:
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st.
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smiles = st.text_area(
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"API SMILES
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placeholder="例如: CC(=O)Nc1ccc(O)cc1
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height=100,
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key="smiles_input"
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)
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if smiles:
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mol_renderer = get_molecule_renderer()
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if mol_renderer and mol_renderer.is_available:
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svg = mol_renderer.render_2d_svg(smiles, 300,
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if svg:
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st.markdown("**分子结构预览:**")
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st.markdown(svg, unsafe_allow_html=True)
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with tab_stability:
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| 1140 |
-
st.
|
| 1141 |
uploaded_files = st.file_uploader(
|
| 1142 |
-
"上传
|
| 1143 |
type=["xlsx", "xls", "docx", "doc", "pdf", "csv"],
|
| 1144 |
accept_multiple_files=True,
|
| 1145 |
-
key="stability_files"
|
|
|
|
| 1146 |
)
|
|
|
|
|
|
|
| 1147 |
|
| 1148 |
# Quick Action Chips
|
| 1149 |
-
st.markdown('<div style="margin
|
| 1150 |
chip_col1, chip_col2, chip_col3 = st.columns(3)
|
| 1151 |
|
| 1152 |
def set_goal(text):
|
|
@@ -1156,37 +1166,62 @@ def main():
|
|
| 1156 |
st.session_state.stability_goal_input = ""
|
| 1157 |
|
| 1158 |
with chip_col1:
|
| 1159 |
-
st.button("📈 趋势
|
| 1160 |
with chip_col2:
|
| 1161 |
-
st.button("🔮 货架期
|
| 1162 |
with chip_col3:
|
| 1163 |
-
st.button("🏆
|
| 1164 |
|
| 1165 |
stability_goal = st.text_area(
|
| 1166 |
-
"分析目标
|
| 1167 |
value=st.session_state.stability_goal_input,
|
| 1168 |
-
placeholder="
|
| 1169 |
-
height=
|
| 1170 |
-
key="stability_goal_input_area",
|
| 1171 |
on_change=lambda: st.session_state.update({"stability_goal_input": st.session_state.stability_goal_input_area})
|
| 1172 |
)
|
| 1173 |
-
|
| 1174 |
|
| 1175 |
-
|
|
|
|
| 1176 |
|
| 1177 |
with tab_general:
|
| 1178 |
-
st.
|
| 1179 |
question = st.text_area(
|
| 1180 |
-
"
|
| 1181 |
-
placeholder="
|
| 1182 |
height=150,
|
| 1183 |
-
key="general_question"
|
|
|
|
| 1184 |
)
|
| 1185 |
|
| 1186 |
-
|
| 1187 |
-
|
|
|
|
| 1188 |
with col_output:
|
| 1189 |
st.subheader("📊 分析结果")
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1190 |
result_container = st.container()
|
| 1191 |
|
| 1192 |
# Handle button clicks
|
|
@@ -1198,7 +1233,7 @@ def main():
|
|
| 1198 |
elif not api_key:
|
| 1199 |
st.warning("请在侧边栏配置 API Key")
|
| 1200 |
else:
|
| 1201 |
-
with st.spinner("正在进行相容性
|
| 1202 |
html_report, _ = run_compatibility_analysis(
|
| 1203 |
smiles=smiles,
|
| 1204 |
excipient=excipient,
|
|
@@ -1206,152 +1241,83 @@ def main():
|
|
| 1206 |
provider=provider
|
| 1207 |
)
|
| 1208 |
|
| 1209 |
-
# Wrap with Pharma K branding
|
| 1210 |
branded_report = wrap_report_with_branding(html_report, "相容性分析")
|
| 1211 |
|
| 1212 |
-
#
|
| 1213 |
-
st.
|
| 1214 |
-
|
| 1215 |
-
|
| 1216 |
-
|
| 1217 |
-
with col_html:
|
| 1218 |
-
st.download_button(
|
| 1219 |
-
label="📥 下载 HTML 报告",
|
| 1220 |
-
data=branded_report,
|
| 1221 |
-
file_name=f"Pharma_K_相容性分析报告_{smiles[:10]}_{excipient}.html",
|
| 1222 |
-
mime="text/html",
|
| 1223 |
-
use_container_width=True
|
| 1224 |
-
)
|
| 1225 |
-
with col_pdf:
|
| 1226 |
pdf_data = generate_pdf_from_html(branded_report)
|
| 1227 |
if pdf_data:
|
| 1228 |
-
st.download_button(
|
| 1229 |
-
|
| 1230 |
-
|
| 1231 |
-
file_name=f"Pharma_K_相容性分析报告_{smiles[:10]}_{excipient}.pdf",
|
| 1232 |
-
mime="application/pdf",
|
| 1233 |
-
use_container_width=True
|
| 1234 |
-
)
|
| 1235 |
-
else:
|
| 1236 |
-
st.info("💡 PDF导出需要安装 weasyprint 或 pdfkit")
|
| 1237 |
|
| 1238 |
-
# Stability Analysis
|
| 1239 |
elif stability_button:
|
| 1240 |
-
if not uploaded_files or not
|
| 1241 |
-
|
| 1242 |
elif not api_key:
|
| 1243 |
-
|
| 1244 |
else:
|
| 1245 |
-
|
| 1246 |
-
|
| 1247 |
-
|
| 1248 |
-
|
| 1249 |
-
|
| 1250 |
-
|
| 1251 |
-
|
| 1252 |
-
|
| 1253 |
-
|
| 1254 |
-
|
| 1255 |
-
|
| 1256 |
-
|
| 1257 |
-
|
| 1258 |
-
|
| 1259 |
-
|
| 1260 |
-
|
| 1261 |
-
|
| 1262 |
-
st.session_state.analysis_type = "stability"
|
| 1263 |
-
# Force page rerun to display results
|
| 1264 |
-
st.rerun()
|
| 1265 |
-
else:
|
| 1266 |
-
st.error("分析返回空结果,请检查 API 配置或重试")
|
| 1267 |
-
|
| 1268 |
# Display stability analysis result from session state
|
| 1269 |
-
if st.session_state.analysis_type == "stability" and st.session_state.analysis_result:
|
| 1270 |
branded_report = st.session_state.analysis_result
|
| 1271 |
|
| 1272 |
-
#
|
| 1273 |
-
st.
|
| 1274 |
-
|
| 1275 |
-
|
| 1276 |
-
|
| 1277 |
-
|
| 1278 |
-
|
| 1279 |
-
label="📥 下载 HTML 报告",
|
| 1280 |
-
data=branded_report,
|
| 1281 |
-
file_name=f"Pharma_K_稳定性分析报告_{datetime.now().strftime('%Y%m%d_%H%M')}.html",
|
| 1282 |
-
mime="text/html",
|
| 1283 |
-
use_container_width=True,
|
| 1284 |
-
key="stability_html_download"
|
| 1285 |
-
)
|
| 1286 |
-
with col_pdf:
|
| 1287 |
pdf_data = generate_pdf_from_html(branded_report)
|
| 1288 |
if pdf_data:
|
| 1289 |
-
st.download_button(
|
| 1290 |
-
|
| 1291 |
-
|
| 1292 |
-
file_name=f"Pharma_K_稳定性分析报告_{datetime.now().strftime('%Y%m%d_%H%M')}.pdf",
|
| 1293 |
-
mime="application/pdf",
|
| 1294 |
-
use_container_width=True,
|
| 1295 |
-
key="stability_pdf_download"
|
| 1296 |
-
)
|
| 1297 |
-
else:
|
| 1298 |
-
st.info("💡 PDF导出需要安装 weasyprint 或 pdfkit")
|
| 1299 |
|
| 1300 |
# General Q&A
|
| 1301 |
elif general_button:
|
| 1302 |
if not question:
|
| 1303 |
-
st.warning("请输入
|
| 1304 |
elif not api_key:
|
| 1305 |
-
st.warning("请
|
| 1306 |
else:
|
| 1307 |
-
with st.spinner("正在
|
| 1308 |
-
html_response = run_general_analysis(
|
| 1309 |
-
question=question,
|
| 1310 |
-
api_key=api_key,
|
| 1311 |
-
provider=provider
|
| 1312 |
-
)
|
| 1313 |
|
| 1314 |
-
# Wrap with Pharma K branding
|
| 1315 |
branded_response = wrap_report_with_branding(html_response, "专家问答")
|
| 1316 |
|
| 1317 |
-
#
|
| 1318 |
-
st.
|
| 1319 |
-
|
| 1320 |
-
|
| 1321 |
-
|
| 1322 |
-
with col_html:
|
| 1323 |
-
st.download_button(
|
| 1324 |
-
label="📥 下载 HTML",
|
| 1325 |
-
data=branded_response,
|
| 1326 |
-
file_name=f"Pharma_K_问答_{datetime.now().strftime('%Y%m%d_%H%M')}.html",
|
| 1327 |
-
mime="text/html",
|
| 1328 |
-
use_container_width=True
|
| 1329 |
-
)
|
| 1330 |
-
with col_pdf:
|
| 1331 |
pdf_data = generate_pdf_from_html(branded_response)
|
| 1332 |
if pdf_data:
|
| 1333 |
-
st.download_button(
|
| 1334 |
-
|
| 1335 |
-
|
| 1336 |
-
file_name=f"Pharma_K_问答_{datetime.now().strftime('%Y%m%d_%H%M')}.pdf",
|
| 1337 |
-
mime="application/pdf",
|
| 1338 |
-
use_container_width=True
|
| 1339 |
-
)
|
| 1340 |
-
else:
|
| 1341 |
-
st.info("💡 PDF导出需安装 weasyprint")
|
| 1342 |
|
| 1343 |
-
else:
|
| 1344 |
-
# Default placeholder
|
| 1345 |
-
st.markdown("""
|
| 1346 |
-
<div style="text-align: center; padding: 100px 20px; color: #6b7280;">
|
| 1347 |
-
<h3>👆 请在左侧选择分析类型并输入信息</h3>
|
| 1348 |
-
<p style="margin-top: 20px;">
|
| 1349 |
-
系统支持三种分析模式:<br/>
|
| 1350 |
-
<strong>相容性分析</strong> | <strong>稳定性分析</strong> | <strong>通用问答</strong>
|
| 1351 |
-
</p>
|
| 1352 |
-
</div>
|
| 1353 |
-
""", unsafe_allow_html=True)
|
| 1354 |
-
|
| 1355 |
# =============================================================================
|
| 1356 |
# Entry Point
|
| 1357 |
# =============================================================================
|
|
|
|
| 1091 |
|
| 1092 |
st.markdown("---")
|
| 1093 |
|
| 1094 |
+
# ========== Main Header (Navbar Style) ==========
|
|
|
|
| 1095 |
st.markdown("""
|
| 1096 |
+
<div class="main-header" style="text-align: left !important; padding: 1rem 0 !important; margin-bottom: 2rem !important; border-bottom: 1px solid #eee;">
|
| 1097 |
+
<div style="display: flex; align-items: center; justify-content: space-between;">
|
| 1098 |
+
<div style="font-size: 1.5rem; font-weight: 700; color: #008080;">
|
| 1099 |
+
Pharma K <span style="font-size: 0.9rem; font-weight: 400; color: #7F8C8D; margin-left: 10px;">专家系统</span>
|
| 1100 |
+
</div>
|
| 1101 |
+
<div style="font-size: 0.9rem; color: #7F8C8D;">
|
| 1102 |
+
Next-Gen Drug Stability Analysis
|
| 1103 |
+
</div>
|
| 1104 |
+
</div>
|
| 1105 |
</div>
|
| 1106 |
""", unsafe_allow_html=True)
|
| 1107 |
|
| 1108 |
+
# Main content - Split Pane Layout
|
| 1109 |
+
col_input, col_output = st.columns([3.8, 6.2], gap="large")
|
| 1110 |
|
| 1111 |
with col_input:
|
| 1112 |
+
st.markdown('<div class="nordic-card">', unsafe_allow_html=True)
|
| 1113 |
+
# (Note: CSS targeting [data-testid="column"] handles the card look, but we keep this comment for clarity)
|
| 1114 |
+
st.subheader("📝 任务控制台")
|
| 1115 |
|
| 1116 |
# Analysis mode tabs
|
| 1117 |
tab_compat, tab_stability, tab_general = st.tabs([
|
| 1118 |
+
"相容性", "稳定性", "问答"
|
| 1119 |
])
|
| 1120 |
|
| 1121 |
with tab_compat:
|
| 1122 |
+
st.caption("预测药物分子与辅料的相容性风险")
|
| 1123 |
smiles = st.text_area(
|
| 1124 |
+
"API SMILES",
|
| 1125 |
+
placeholder="例如: CC(=O)Nc1ccc(O)cc1",
|
| 1126 |
height=100,
|
| 1127 |
key="smiles_input"
|
| 1128 |
)
|
|
|
|
| 1136 |
if smiles:
|
| 1137 |
mol_renderer = get_molecule_renderer()
|
| 1138 |
if mol_renderer and mol_renderer.is_available:
|
| 1139 |
+
svg = mol_renderer.render_2d_svg(smiles, 300, 150)
|
| 1140 |
if svg:
|
|
|
|
| 1141 |
st.markdown(svg, unsafe_allow_html=True)
|
| 1142 |
|
| 1143 |
+
st.markdown("---")
|
| 1144 |
+
compat_button = st.button("🚀 开始分析", use_container_width=True, type="primary", key="compat_btn")
|
| 1145 |
|
| 1146 |
with tab_stability:
|
| 1147 |
+
st.caption("基于已有数据文件进行趋势与货架期分析")
|
| 1148 |
uploaded_files = st.file_uploader(
|
| 1149 |
+
"上传数据文件",
|
| 1150 |
type=["xlsx", "xls", "docx", "doc", "pdf", "csv"],
|
| 1151 |
accept_multiple_files=True,
|
| 1152 |
+
key="stability_files",
|
| 1153 |
+
label_visibility="collapsed"
|
| 1154 |
)
|
| 1155 |
+
if not uploaded_files:
|
| 1156 |
+
st.info("👆 请先上传稳定性数据文件")
|
| 1157 |
|
| 1158 |
# Quick Action Chips
|
| 1159 |
+
st.markdown('<div style="margin: 15px 0 8px; font-size: 13px; font-weight: 500; color: #666;">快捷指令</div>', unsafe_allow_html=True)
|
| 1160 |
chip_col1, chip_col2, chip_col3 = st.columns(3)
|
| 1161 |
|
| 1162 |
def set_goal(text):
|
|
|
|
| 1166 |
st.session_state.stability_goal_input = ""
|
| 1167 |
|
| 1168 |
with chip_col1:
|
| 1169 |
+
st.button("📈 趋势", use_container_width=True, type="secondary", on_click=set_goal, args=("请分析各批次的杂质增长趋势,并判断是否符合限度要求。",))
|
| 1170 |
with chip_col2:
|
| 1171 |
+
st.button("🔮 货架期", use_container_width=True, type="secondary", on_click=set_goal, args=("基于现有数据,请预测24个月时的含量数据。",))
|
| 1172 |
with chip_col3:
|
| 1173 |
+
st.button("🏆 筛选", use_container_width=True, type="secondary", on_click=set_goal, args=("对比不同处方批次,找出最稳定的处方。",))
|
| 1174 |
|
| 1175 |
stability_goal = st.text_area(
|
| 1176 |
+
"详细分析目标",
|
| 1177 |
value=st.session_state.stability_goal_input,
|
| 1178 |
+
placeholder="或在此手动描述...",
|
| 1179 |
+
height=100,
|
| 1180 |
+
key="stability_goal_input_area",
|
| 1181 |
on_change=lambda: st.session_state.update({"stability_goal_input": st.session_state.stability_goal_input_area})
|
| 1182 |
)
|
|
|
|
| 1183 |
|
| 1184 |
+
st.markdown("---")
|
| 1185 |
+
stability_button = st.button("🚀 开始分析", use_container_width=True, type="primary", key="stability_btn")
|
| 1186 |
|
| 1187 |
with tab_general:
|
| 1188 |
+
st.caption("制剂研发领域的专业问答助手")
|
| 1189 |
question = st.text_area(
|
| 1190 |
+
"问题描述",
|
| 1191 |
+
placeholder="例如: ICH指南对稳定性试验有什么要求?",
|
| 1192 |
height=150,
|
| 1193 |
+
key="general_question",
|
| 1194 |
+
label_visibility="collapsed"
|
| 1195 |
)
|
| 1196 |
|
| 1197 |
+
st.markdown("---")
|
| 1198 |
+
general_button = st.button("💡 咨询专家", use_container_width=True, type="primary", key="general_btn")
|
| 1199 |
+
|
| 1200 |
with col_output:
|
| 1201 |
st.subheader("📊 分析结果")
|
| 1202 |
+
|
| 1203 |
+
# Determine if we have any active result
|
| 1204 |
+
is_active = False
|
| 1205 |
+
if compat_button or stability_button or general_button:
|
| 1206 |
+
is_active = True
|
| 1207 |
+
if st.session_state.get('analysis_type') == 'stability' and st.session_state.get('analysis_result'):
|
| 1208 |
+
is_active = True
|
| 1209 |
+
|
| 1210 |
+
# Empty State
|
| 1211 |
+
if not is_active:
|
| 1212 |
+
st.markdown("""
|
| 1213 |
+
<div style="text-align: center; padding: 60px 20px; color: #999;">
|
| 1214 |
+
<div style="font-size: 60px; margin-bottom: 20px;">🧬</div>
|
| 1215 |
+
<h3 style="color: #666; margin-bottom: 10px;">准备就绪</h3>
|
| 1216 |
+
<p>请在左侧选择分析模式并输入信息<br>AI 专家系统将为您生成专业报告</p>
|
| 1217 |
+
<div style="margin-top: 30px; display: flex; justify-content: center; gap: 20px;">
|
| 1218 |
+
<div style="background: #f0f2f6; padding: 10px 20px; border-radius: 20px; font-size: 12px;">相容性预测</div>
|
| 1219 |
+
<div style="background: #f0f2f6; padding: 10px 20px; border-radius: 20px; font-size: 12px;">稳定性分析</div>
|
| 1220 |
+
<div style="background: #f0f2f6; padding: 10px 20px; border-radius: 20px; font-size: 12px;">专家问答</div>
|
| 1221 |
+
</div>
|
| 1222 |
+
</div>
|
| 1223 |
+
""", unsafe_allow_html=True)
|
| 1224 |
+
|
| 1225 |
result_container = st.container()
|
| 1226 |
|
| 1227 |
# Handle button clicks
|
|
|
|
| 1233 |
elif not api_key:
|
| 1234 |
st.warning("请在侧边栏配置 API Key")
|
| 1235 |
else:
|
| 1236 |
+
with st.spinner("正在解析分子结构并进行相容性推演..."):
|
| 1237 |
html_report, _ = run_compatibility_analysis(
|
| 1238 |
smiles=smiles,
|
| 1239 |
excipient=excipient,
|
|
|
|
| 1241 |
provider=provider
|
| 1242 |
)
|
| 1243 |
|
|
|
|
| 1244 |
branded_report = wrap_report_with_branding(html_report, "相容性分析")
|
| 1245 |
|
| 1246 |
+
# Toolbar (Download Buttons)
|
| 1247 |
+
c1, c2, c3 = st.columns([2, 1, 1])
|
| 1248 |
+
with c2:
|
| 1249 |
+
st.download_button("📥 HTML", branded_report, f"Pharma_K_Compat_{smiles[:5]}.html", "text/html")
|
| 1250 |
+
with c3:
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1251 |
pdf_data = generate_pdf_from_html(branded_report)
|
| 1252 |
if pdf_data:
|
| 1253 |
+
st.download_button("📄 PDF", pdf_data, f"Pharma_K_Compat_{smiles[:5]}.pdf", "application/pdf")
|
| 1254 |
+
|
| 1255 |
+
st.components.v1.html(branded_report, height=800, scrolling=True)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1256 |
|
| 1257 |
+
# Stability Analysis Logic
|
| 1258 |
elif stability_button:
|
| 1259 |
+
if not uploaded_files or not st.session_state.stability_goal_input:
|
| 1260 |
+
st.warning("请上传数据文件并描述分析目标")
|
| 1261 |
elif not api_key:
|
| 1262 |
+
st.warning("请在侧边栏配置 API Key")
|
| 1263 |
else:
|
| 1264 |
+
with st.spinner("正在进行多维度稳定性数据分析..."):
|
| 1265 |
+
html_report = run_stability_analysis(
|
| 1266 |
+
goal=st.session_state.stability_goal_input,
|
| 1267 |
+
files=uploaded_files,
|
| 1268 |
+
api_key=api_key,
|
| 1269 |
+
provider=provider
|
| 1270 |
+
)
|
| 1271 |
+
|
| 1272 |
+
if html_report and len(html_report.strip()) > 100:
|
| 1273 |
+
branded_report = wrap_report_with_branding(html_report, "稳定性分析")
|
| 1274 |
+
branded_report = parse_and_render_charts(branded_report)
|
| 1275 |
+
st.session_state.analysis_result = branded_report
|
| 1276 |
+
st.session_state.analysis_type = "stability"
|
| 1277 |
+
st.rerun()
|
| 1278 |
+
else:
|
| 1279 |
+
st.error("分析未返回有效结果")
|
| 1280 |
+
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1281 |
# Display stability analysis result from session state
|
| 1282 |
+
if st.session_state.get('analysis_type') == "stability" and st.session_state.get('analysis_result'):
|
| 1283 |
branded_report = st.session_state.analysis_result
|
| 1284 |
|
| 1285 |
+
# Toolbar
|
| 1286 |
+
c1, c2, c3 = st.columns([2, 1, 1])
|
| 1287 |
+
with c1:
|
| 1288 |
+
st.success("✅ 分析完成")
|
| 1289 |
+
with c2:
|
| 1290 |
+
st.download_button("📥 HTML", branded_report, "Stability_Report.html", "text/html")
|
| 1291 |
+
with c3:
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1292 |
pdf_data = generate_pdf_from_html(branded_report)
|
| 1293 |
if pdf_data:
|
| 1294 |
+
st.download_button("📄 PDF", pdf_data, "Stability_Report.pdf", "application/pdf")
|
| 1295 |
+
|
| 1296 |
+
st.components.v1.html(branded_report, height=800, scrolling=True)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1297 |
|
| 1298 |
# General Q&A
|
| 1299 |
elif general_button:
|
| 1300 |
if not question:
|
| 1301 |
+
st.warning("请输入问题")
|
| 1302 |
elif not api_key:
|
| 1303 |
+
st.warning("请配置 API Key")
|
| 1304 |
else:
|
| 1305 |
+
with st.spinner("专家系统正在思考..."):
|
| 1306 |
+
html_response = run_general_analysis(question, api_key, provider)
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1307 |
|
|
|
|
| 1308 |
branded_response = wrap_report_with_branding(html_response, "专家问答")
|
| 1309 |
|
| 1310 |
+
# Toolbar
|
| 1311 |
+
c1, c2, c3 = st.columns([2, 1, 1])
|
| 1312 |
+
with c2:
|
| 1313 |
+
st.download_button("📥 HTML", branded_response, "QA_Response.html", "text/html")
|
| 1314 |
+
with c3:
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1315 |
pdf_data = generate_pdf_from_html(branded_response)
|
| 1316 |
if pdf_data:
|
| 1317 |
+
st.download_button("📄 PDF", pdf_data, "QA_Response.pdf", "application/pdf")
|
| 1318 |
+
|
| 1319 |
+
st.components.v1.html(branded_response, height=600, scrolling=True)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1320 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1321 |
# =============================================================================
|
| 1322 |
# Entry Point
|
| 1323 |
# =============================================================================
|