生成数据:mattergen改成了同步

This commit is contained in:
lzy
2025-04-06 20:35:13 +08:00
parent 71d8dabd17
commit 72045e5cfe
14 changed files with 557 additions and 191 deletions

View File

@@ -62,7 +62,8 @@ async def test_tool(tool_name: str) -> str:
elif tool_name == "generate_material":
from mars_toolkit.compute.material_gen import generate_material
# 使用简单的属性约束进行测试
result = await generate_material(properties={'dft_mag_density': 0.15}, batch_size=2, num_batches=1)
# result = await generate_material(properties={'dft_mag_density': 0.15}, batch_size=2, num_batches=1)
result = generate_material(properties={'dft_mag_density': 0.15}, batch_size=2, num_batches=1)
elif tool_name == "fetch_chemical_composition_from_OQMD":
from mars_toolkit.query.oqmd_query import fetch_chemical_composition_from_OQMD
@@ -171,7 +172,7 @@ if __name__ == "__main__":
]
# 选择要测试的工具
tool_name = tools_to_test[6] # 测试 search_online 工具
tool_name = tools_to_test[1] # 测试 search_online 工具
# 运行测试
result = asyncio.run(test_tool(tool_name))