From 5cece37115931859df194bf1c36665a840279275 Mon Sep 17 00:00:00 2001 From: Miki Bonacci Date: Thu, 8 Feb 2024 14:20:32 +0100 Subject: [PATCH] adding a comment on kind_tags in the doc --- .../user_guide/structuredata/API_start.ipynb | 29 +++++++++++++++++-- 1 file changed, 26 insertions(+), 3 deletions(-) diff --git a/docs/source/user_guide/structuredata/API_start.ipynb b/docs/source/user_guide/structuredata/API_start.ipynb index 6b29fa4..2a8c4bb 100644 --- a/docs/source/user_guide/structuredata/API_start.ipynb +++ b/docs/source/user_guide/structuredata/API_start.ipynb @@ -428,7 +428,7 @@ }, { "cell_type": "code", - "execution_count": 30, + "execution_count": 31, "metadata": {}, "outputs": [ { @@ -437,7 +437,7 @@ "0.001" ] }, - "execution_count": 30, + "execution_count": 31, "metadata": {}, "output_type": "execute_result" } @@ -460,7 +460,30 @@ { "cell_type": "markdown", "metadata": {}, - "source": [] + "source": [ + "#### User defined kinds\n", + "\n", + "it is possible to define kinds by hands, when the StructureData instance is generated.\n", + "\n", + "```python\n", + "properties = {\n", + " ...\n", + " \"positions\":{\n", + " \"value\":[...],\n", + " \"kind_tags\":[\"Li0\",\"Li0\"],\n", + " }\n", + " ...\n", + "}\n", + "```\n", + "So that a given plugin will use the given tags, if checks that `structure.properties.positions.kind_tags`exists." + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "\"" + ] } ], "metadata": {