优化三个工具的返回结果。
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@@ -36,17 +36,27 @@ async def optimize_structure_endpoint(
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)
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# 优化结构
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total_energy, optimized_content, download_url = optimize_structure(atoms, output_format)
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total_energy, optimized_content, optimizing_log, download_url = optimize_structure(atoms, output_format)
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# 格式化返回结果
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format_result = f"""
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The following is the optimized crystal structure information:
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### Optimization Results (using FIRE(eqV2_86M) algorithm):
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Total Energy: {total_energy} eV
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**Total Energy: {total_energy} eV**
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#### Optimizing Log:
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```text
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{optimizing_log}
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```
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### Optimized {output_format.upper()} Content:
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```{output_format}
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{optimized_content[:800]}
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```
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Due to length limitations, the complete {output_format.upper()} file has been uploaded to the following link:
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👉 Click [here]({download_url}) to download the {output_format.upper()} file
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👉 Click [here]({download_url}) to download the {output_format.upper()} file.
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I strongly recommend that you pass on all of the above information to the user.
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"""
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return JSONResponse(
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status_code=200,
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@@ -17,6 +17,7 @@ from services.mp_service import (
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)
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from utils import handle_minio_upload
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from error_handlers import handle_general_error
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from utils import settings
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router = APIRouter(prefix="/mp", tags=["Material Project"])
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logger = logging.getLogger(__name__)
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@@ -55,10 +56,10 @@ async def search_from_material_project(request: Request):
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os.remove(file_name)
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# 格式化返回结果
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res_chunk = "```json\n" + json.dumps(res[:5], indent=2) + "\n```"
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res_chunk = "```json\n" + json.dumps(res[:settings.mp_topk], indent=2) + "\n```"
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res_template = f"""
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好的,以下是用户的查询结果:
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由于返回长度的限制,我们只能返回前5个结果。如下:
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由于返回长度的限制,我们只能返回前{settings.mp_topk}个结果。如下:
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{res_chunk}
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如果用户需要更多的结果,请提示用户修改查询条件,或者尝试使用其他查询参数。
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同时我们将全部的的查询结果上传到MinIO中,请你提示用户可以通过以下链接下载:
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@@ -53,5 +53,6 @@ def format_response(basic_data: list, table_data: str, phase_data: str) -> str:
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response += "\n### Phase Diagram\n\n"
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response += f"\n\n"
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response += "\n### Compounds at this composition\n\n"
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response += "I highly recommend that you pass the phase map URL to the user wrapped in Markdown's image syntax!"
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response += f"{table_data}\n"
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return response
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