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- Add PostgreSQL database ER diagram with 17 tables - Add REST API design with 70+ endpoints - Add comprehensive project estimation (8 months, $100K budget) - Create migration directory structure for React + FastAPI
Backend (FastAPI): - Core configuration and database setup - SQLAlchemy models for all 17 tables (users, projects, fittings, phases, atoms, datasets, calculations, parameters, constraints, files, history) - Pydantic schemas for request/response validation - Service layer wrapping original pdfGUI logic unchanged: - FittingService (refinement workflows) - StructureService (crystal structure operations) - DatasetService (PDF data handling) - ConstraintService (formula parsing/evaluation) - FileService (upload/parsing) - AuthService (JWT + bcrypt authentication) - REST API endpoints for all CRUD operations - Main FastAPI application with CORS Frontend (React): - TypeScript types for JSON-driven forms and charts - DynamicForm component with Zod validation - Wizard component for multi-step workflows - PDFPlot component using Plotly - JSON form schemas (fitting wizard) - Chart template configurations - API client service with auth interceptors - Zustand auth store with persist - React Router setup with protected routes Tests: - Pytest configuration with fixtures - Numerical regression tests matching original pdfGUI: - Grid interpolation (15 decimal precision) - Constraint evaluation - Structure operations - Dataset operations - Project loading - API endpoint tests Documentation: - Complete requirements gap analysis (10-pass review) - 70% overall completion with clear path to 100%
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