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调整mattergen-wrapper位置

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lzy
2025-04-02 16:57:37 +08:00
parent 7034566ee6
commit bac8f067e0
9 changed files with 24 additions and 30 deletions
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test_mars_toolkit.py
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@@ -158,16 +158,16 @@ if __name__ == "__main__":
# 测试工具函数列表
tools_to_test = [
"get_current_time", # 基础工具
"search_online", # 网络搜索工具
"search_material_property_from_material_project", # 材料项目查询工具
"get_crystal_structures_from_materials_project", # 晶体结构查询工具
"get_mpid_from_formula", # 材料ID查询工具
"optimize_crystal_structure", # 晶体结构优化工具
"generate_material", # 材料生成工具
"fetch_chemical_composition_from_OQMD", # OQMD查询工具
"retrieval_from_knowledge_base", # 知识库检索工具
"predict_properties" # 属性预测工具
"get_current_time", # 0基础工具
"search_online", # 1网络搜索工具
"search_material_property_from_material_project", # 2材料项目查询工具
"get_crystal_structures_from_materials_project", # 3晶体结构查询工具
"get_mpid_from_formula", # 4材料ID查询工具
"optimize_crystal_structure", # 5晶体结构优化工具
"generate_material", # 6材料生成工具
"fetch_chemical_composition_from_OQMD", # 7OQMD查询工具
"retrieval_from_knowledge_base", # 8知识库检索工具
"predict_properties" # 9属性预测工具
]
# 选择要测试的工具