优化三个工具的返回结果。

This commit is contained in:
2025-01-06 17:27:45 +08:00
parent c7d2d482da
commit 4d0c41d222
7 changed files with 266 additions and 8 deletions

View File

@@ -36,17 +36,27 @@ async def optimize_structure_endpoint(
)
# 优化结构
total_energy, optimized_content, download_url = optimize_structure(atoms, output_format)
total_energy, optimized_content, optimizing_log, download_url = optimize_structure(atoms, output_format)
# 格式化返回结果
format_result = f"""
The following is the optimized crystal structure information:
### Optimization Results (using FIRE(eqV2_86M) algorithm):
Total Energy: {total_energy} eV
**Total Energy: {total_energy} eV**
#### Optimizing Log:
```text
{optimizing_log}
```
### Optimized {output_format.upper()} Content:
```{output_format}
{optimized_content[:800]}
```
Due to length limitations, the complete {output_format.upper()} file has been uploaded to the following link:
👉 Click [here]({download_url}) to download the {output_format.upper()} file
👉 Click [here]({download_url}) to download the {output_format.upper()} file.
I strongly recommend that you pass on all of the above information to the user.
"""
return JSONResponse(
status_code=200,