{
"cells": [
{
"cell_type": "markdown",
"id": "6596d3b9",
"metadata": {},
"source": [
"(how-to:data:share:archive:profile)=\n",
"\n",
"# How to inspect an archive\n",
"\n",
"```{note}\n",
"This tutorial can be downloaded and run as a Jupyter Notebook: {nb-download}`archive_profile.ipynb` {octicon}`download`, together with the archive {download}`include/process.aiida`.\n",
"```\n",
"\n",
"The AiiDA archive is a file format for long term storage of data from a particular profile.\n",
"\n",
"See {ref}`how-to:share:archives` for information on how to create and migrate an archive.\n",
"Once you have an archive at the latest version, you can inspect its contents in the same way you would with a standard AiiDA profile.\n",
"\n",
"We first create a profile instance from the archive path:"
]
},
{
"cell_type": "code",
"execution_count": 1,
"id": "537ae41a",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Profile<'da9945b1a88440069a4db1c16a12caa3' ('process.aiida')>\n"
]
}
],
"source": [
"from aiida import manage, orm, profile_context\n",
"from aiida.storage.sqlite_zip.backend import SqliteZipBackend\n",
"\n",
"archive_profile = SqliteZipBackend.create_profile('include/process.aiida')\n",
"print(archive_profile)"
]
},
{
"cell_type": "markdown",
"id": "44817e35",
"metadata": {},
"source": [
"The {py:func}`~aiida.manage.configuration.profile_context` function works similarly to the {py:func}`~aiida.manage.configuration.load_profile` function,\n",
"but is used within a context manager, that insures that the storage is properly closed when the context is exited.\n",
"With this, we can load our archive as a profile:"
]
},
{
"cell_type": "code",
"execution_count": 2,
"id": "2452bbe8",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mYou are currently using a post release development version of AiiDA: 2.0.0.post0\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mBe aware that this is not recommended for production and is not officially supported.\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mDatabases used with this version may not be compatible with future releases of AiiDA\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mas you might not be able to automatically migrate your data.\n",
"\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"Profile<'da9945b1a88440069a4db1c16a12caa3' ('process.aiida')>\n"
]
}
],
"source": [
"with profile_context(archive_profile):\n",
" print(manage.get_manager().get_profile())"
]
},
{
"cell_type": "markdown",
"id": "13187057",
"metadata": {},
"source": [
"To directly access the storage backend, and view information about it, we can use:"
]
},
{
"cell_type": "code",
"execution_count": 3,
"id": "23932d98",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mYou are currently using a post release development version of AiiDA: 2.0.0.post0\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mBe aware that this is not recommended for production and is not officially supported.\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mDatabases used with this version may not be compatible with future releases of AiiDA\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mas you might not be able to automatically migrate your data.\n",
"\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"SqliteZip storage (read-only) [open] @ include/process.aiida\n",
"{\n",
" \"metadata\": {\n",
" \"export_version\": \"main_0001\",\n",
" \"aiida_version\": \"2.0.0a1\",\n",
" \"key_format\": \"sha256\",\n",
" \"compression\": 6,\n",
" \"ctime\": \"2022-03-10T11:56:56.759722\",\n",
" \"creation_parameters\": {\n",
" \"entities_starting_set\": {\n",
" \"node\": [\n",
" \"cff1e914-5a34-4930-9429-9dcc6d38feb1\"\n",
" ]\n",
" },\n",
" \"include_authinfos\": false,\n",
" \"include_comments\": true,\n",
" \"include_logs\": true,\n",
" \"graph_traversal_rules\": {\n",
" \"input_calc_forward\": false,\n",
" \"input_calc_backward\": true,\n",
" \"create_forward\": true,\n",
" \"create_backward\": true,\n",
" \"return_forward\": true,\n",
" \"return_backward\": false,\n",
" \"input_work_forward\": false,\n",
" \"input_work_backward\": true,\n",
" \"call_calc_forward\": true,\n",
" \"call_calc_backward\": true,\n",
" \"call_work_forward\": true,\n",
" \"call_work_backward\": true\n",
" }\n",
" }\n",
" }\n",
"}\n"
]
}
],
"source": [
"import json\n",
"with profile_context(archive_profile):\n",
" storage = manage.get_manager().get_profile_storage()\n",
" print(storage)\n",
" print(json.dumps(storage.get_info(), indent=2))"
]
},
{
"cell_type": "markdown",
"id": "8843de80",
"metadata": {},
"source": [
"This is directly equivalent to the command-line call:"
]
},
{
"cell_type": "code",
"execution_count": 4,
"id": "6acde218",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"-"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\b\u001b[22mmetadata:\r\n",
" export_version: main_0001\r\n",
" aiida_version: 2.0.0a1\r\n",
" key_format: sha256\r\n",
" compression: 6\r\n",
" ctime: '2022-03-10T11:56:56.759722'\r\n",
" creation_parameters:\r\n",
" entities_starting_set:\r\n",
" node:\r\n",
" - cff1e914-5a34-4930-9429-9dcc6d38feb1\r\n",
" include_authinfos: false\r\n",
" include_comments: true\r\n",
" include_logs: true\r\n",
" graph_traversal_rules:\r\n",
" input_calc_forward: false\r\n",
" input_calc_backward: true\r\n",
" create_forward: true\r\n",
" create_backward: true\r\n",
" return_forward: true\r\n",
" return_backward: false\r\n",
" input_work_forward: false\r\n",
" input_work_backward: true\r\n",
" call_calc_forward: true\r\n",
" call_calc_backward: true\r\n",
" call_work_forward: true\r\n",
" call_work_backward: true\r\n",
"\u001b[0m\r\n"
]
}
],
"source": [
"!verdi archive info include/process.aiida"
]
},
{
"cell_type": "markdown",
"id": "1d000607",
"metadata": {},
"source": [
"Note, that once the context manager is exited, the storage is closed, and will except on further calls."
]
},
{
"cell_type": "code",
"execution_count": 5,
"id": "f563484c",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"SqliteZip storage (read-only) [closed] @ include/process.aiida\n"
]
}
],
"source": [
"print(storage)"
]
},
{
"cell_type": "markdown",
"id": "1ffdc711",
"metadata": {},
"source": [
"As per a standard profile, we can now use the {py:class}`~aiida.orm.QueryBuilder`, to [find and query for data](how-to:query):"
]
},
{
"cell_type": "code",
"execution_count": 6,
"id": "ddaf82e2",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mYou are currently using a post release development version of AiiDA: 2.0.0.post0\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mBe aware that this is not recommended for production and is not officially supported.\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mDatabases used with this version may not be compatible with future releases of AiiDA\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mas you might not be able to automatically migrate your data.\n",
"\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"uuid: cff1e914-5a34-4930-9429-9dcc6d38feb1 (pk: 61)\n"
]
}
],
"source": [
"with profile_context(archive_profile):\n",
" process = orm.QueryBuilder().append(orm.ProcessNode).first(flat=True)\n",
" print(process)"
]
},
{
"cell_type": "markdown",
"id": "1d0ccbf7",
"metadata": {},
"source": [
"and also use {py:class}`~aiida.tools.visualization.graph.Graph`, to [visualize data provenance](how-to:data:visualise-provenance):"
]
},
{
"cell_type": "code",
"execution_count": 7,
"id": "e8dc105b",
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mYou are currently using a post release development version of AiiDA: 2.0.0.post0\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mBe aware that this is not recommended for production and is not officially supported.\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mDatabases used with this version may not be compatible with future releases of AiiDA\u001b[0m\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"\u001b[93m\u001b[1mWarning\u001b[0m: \u001b[22mas you might not be able to automatically migrate your data.\n",
"\u001b[0m\n"
]
},
{
"data": {
"image/svg+xml": [
"\n",
"\n",
"\n",
"\n",
"\n"
],
"text/plain": [
""
]
},
"execution_count": 7,
"metadata": {
"filenames": {
"image/svg+xml": "/home/docs/checkouts/readthedocs.org/user_builds/aiida-core-tmp/checkouts/latest/docs/source/_build/jupyter_execute/howto/archive_profile_13_4.svg"
}
},
"output_type": "execute_result"
}
],
"source": [
"from aiida.tools.visualization import Graph\n",
"\n",
"with profile_context(archive_profile):\n",
" process = orm.QueryBuilder().append(orm.ProcessNode).first(flat=True)\n",
" graph = Graph(graph_attr={\"size\": \"8!,8!\", \"rankdir\": \"LR\"})\n",
" graph.add_incoming(process, annotate_links=\"both\")\n",
" graph.add_outgoing(process, annotate_links=\"both\")\n",
"\n",
"graph.graphviz"
]
}
],
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