SOFT7

OTEAPI插件

软7包附带了一个OTEAPI 插件，允许将任何核心解析器数据转换为 SOFT7 实体实例。

要使用此插件，请调用 'soft7' functionType 函数策略。

测试插件

在存储库的根目录中有一个 Docker Compose 文件，运行时将启动一个包含 soft7 OTEAPI 插件的 OTEAPI 服务。

要启动服务，请运行

docker compose pull
docker compose up -d

要跟随 soft7 包的安装和 OTEAPI 服务的启动，请运行

docker logs -f soft7-oteapi-1

按 Ctrl+C 停止跟踪日志。

要最终停止服务，请运行

docker compose down

但在测试插件之前，让我们先试试。

打开一个 Python shell、一个 IPython shell 或一个 Jupyter Notebook，并运行

from s7.factories import create_datasource

# Let us use an OPTIMADE structure from the Materials Project as our "raw" data source.
# The chosen structure is mp-1228448 (Al2O3):
# https://materialsproject.org/materials/mp-1228448/
# For more information about OPTIMADE, see https://www.optimade.org/
# For more information about the Materials Project, see https://materialsproject.org/
dataresource_config = {
    "downloadUrl": (
        "https://optimade.materialsproject.org/v1/structures/mp-1228448?"
        "response_format=json"
    ),
    "mediaType": "application/json",
}

# We need to setup a mapping configuration to tell the plugin how to map the OPTIMADE
# structure to a SOFT7 Entity instance.
# This requires knowledge of the OPTIMADE structure and the SOFT7 Entity.
# In our case the OPTIMADE structure specification is available at
# https://github.com/Materials-Consortia/OPTIMADE/blob/v1.1.0/optimade.rst#structures-entries
# and the SOFT7 Entity of choice is the `OPTIMADEStructure` Entity, which can be found
# at http://onto-ns.com/meta/1.0/OPTIMADEStructure
mapping_config = {
    "mappingType": "triples",
    "prefixes": {
        "optimade": "https://optimade.materialsproject.org/v1/structures/mp-1228448#",
        "soft7": "http://onto-ns.com/meta/1.0/OPTIMADEStructure#",
    },
    "triples": {
        ("optimade:data.id", "", "soft7:properties.id"),
        ("optimade:data.type", "", "soft7:properties.type"),
        ("optimade:data.attributes", "", "soft7:properties."),
    }
}