Move project docs to docs/project-docs and update references

- Move AGENTS.md, CLEANUP_SUMMARY.md, DOCUMENTATION_GUIDE.md,
  IMPLEMENTATION_SUMMARY.md, QUICK_COMMANDS.md to docs/project-docs/
- Update AGENTS.md to include splicing module documentation
- Update mkdocs.yml navigation to include project-docs section
- Update .gitignore to track docs/ directory
- Add docs/plans/ splicing design documents

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
This commit is contained in:
2026-03-18 17:56:03 +08:00
parent 68f171ad1d
commit a768d26e47
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# 快速命令参考
## 📚 查看文档
```bash
# 启动文档服务器(推荐)
pixi run mkdocs serve
# 访问http://localhost:8000
# 构建静态文档
pixi run mkdocs build
# 部署到 GitHub Pages
pixi run mkdocs gh-deploy
```
## 📦 安装项目
```bash
# 方式 1: 使用 Pixi推荐
pixi install
pixi shell
# 方式 2: 使用 Pip需要先安装 RDKit
conda install -c conda-forge rdkit
pip install -e . # 开发模式
# 方式 3: 常规安装
pip install .
```
## 🧪 测试安装
```python
# 测试导入
from src.macrolactone_fragmenter import MacrolactoneFragmenter
print("✓ 安装成功!")
# 快速测试
fragmenter = MacrolactoneFragmenter(ring_size=16)
print(f"✓ 初始化成功ring_size={fragmenter.ring_size}")
```
## 📓 运行示例
```bash
# Jupyter Notebook
pixi run jupyter notebook notebooks/filter_molecules.ipynb
# 或启动 Jupyter Lab
pixi run jupyter lab
```
## 🔍 项目结构
```bash
# 查看文档文件
find docs -type f -name "*.md" | sort
# 查看源代码
ls -la src/
# 查看配置文件
cat pyproject.toml
cat mkdocs.yml
```
## 📝 文档编辑
```bash
# 编辑文档
vim docs/user-guide/fragmenter-usage.md
# 实时预览
pixi run mkdocs serve
# 构建验证
pixi run mkdocs build
```
## 🚀 发布准备
```bash
# 构建分发包
python -m build
# 检查包
twine check dist/*
# 上传到 TestPyPI测试
twine upload --repository testpypi dist/*
# 上传到 PyPI正式发布
twine upload dist/*
```
## 🛠️ 开发工具
```bash
# 格式化代码
pixi run black src/
# 检查代码质量
pixi run flake8 src/
# 运行测试
pixi run pytest
# 测试覆盖率
pixi run pytest --cov=src
```
## 📊 项目信息
```bash
# 查看 Pixi 环境
pixi list
# 查看项目信息
cat pyproject.toml | grep -A 10 '\[project\]'
# 查看版本
cat pyproject.toml | grep version
```
## 🔗 重要文件
| 文件 | 说明 |
|------|------|
| `README.md` | 项目主文档 |
| `DOCUMENTATION_GUIDE.md` | 文档系统使用指南 |
| `PROJECT_COMPLETION_SUMMARY.md` | 项目完成总结 |
| `QUICK_COMMANDS.md` | 本文件 |
| `pyproject.toml` | Python 项目配置 |
| `setup.py` | 打包脚本 |
| `mkdocs.yml` | 文档配置 |
| `pixi.toml` | Pixi 环境配置 |
## 💡 常用链接
- **本地文档**: http://localhost:8000 (运行 `pixi run mkdocs serve`)
- **GitHub**: https://github.com/yourusername/macro_split
- **PyPI**: https://pypi.org/project/macrolactone-fragmenter/
---
**需要帮助?** 查看 `DOCUMENTATION_GUIDE.md` 或运行 `pixi run mkdocs serve`