REST API
Source: server/main.py
概述
CatGo 的 Python 服务器提供基于 FastAPI 构建的 REST API，用于程序化访问全部计算与分析功能。
Base URL
http://localhost:8000/api
Endpoints
Structure
| Method | Path | Description |
|---|---|---|
| POST | /structure/parse | 解析结构文件 |
| POST | /structure/optimize | 运行几何优化 |
| POST | /structure/slab | Generate a slab |
Electronic
| Method | Path | Description |
|---|---|---|
| POST | /bands | 能带结构计算 |
| POST | /dos | Density of states |
| POST | /cohp | COHP analysis |
MD 分析
| Method | Path | Description |
|---|---|---|
| POST | /md/rdf | 径向分布函数 |
| POST | /md/rmsd | RMSD computation |
| POST | /md/density | Density profile |
| POST | /md/hbonds | H-bond detection |
| POST | /md/clustering | 聚类与 PCA |
工作流
| Method | Path | Description |
|---|---|---|
| POST | /workflow/create | Create workflow |
| POST | /workflow/run | Execute workflow |
| GET | /workflow/{id} | 获取工作流状态 |
HPC
| Method | Path | Description |
|---|---|---|
| POST | /hpc/submit | Submit HPC job |
| GET | /hpc/status | Check job status |
Chat
| Method | Path | Description |
|---|---|---|
| POST | /chat | Single-turn chat |
| POST | /chat/multi | 多轮对话 |
Paper
| Method | Path | Description |
|---|---|---|
| POST | /paper/upload | 上传 PDF 并创建会话 |
| GET | /paper/{session_id} | 获取会话信息（标题、作者、过期时间） |
| GET | /paper/{session_id}/text | 获取提取出的正文文本 |
| POST | /paper/resolve-doi | 通过 CrossRef 解析 DOI |
| DELETE | /paper/{session_id} | 手动清理会话 |
Authentication
当前本地服务器不需要认证。可在 server/main.py 中配置 CORS。