AiiDA REST API#

AiiDA’s RESTful API is implemented using the Flask RESTful framework and returns responses in JSON format.

To use AiiDA’s REST API, you must install this component during the AiiDA installation:

$ pip install aiida-core[rest]

Then, the REST service can be started with:

$ verdi restapi

See here for more details.

Available endpoints and responses#

In order to obtain a list of all available endpoints, query the API base URL or the /server/endpoints endpoint:

http://localhost:5000/api/v4
http://localhost:5000/api/v4/server/endpoints

The HTTP response of the REST API consists of a status code, a header, and a JSON object.

Possible status codes are:

200 for successful requests.
400 for bad requests. The JSON object contains an error message describing the issue with the request.
500 for a generic internal server error. The JSON object contains a generic error message.
404 for invalid URL. The request does not match any resource, and no JSON is returned.

The header is a standard HTTP response header with the additional custom fields

X-Total-Counts and
Link (only if paginated results are required, see the Pagination section).

The data field of the JSON object contains the main payload returned by the API. The JSON object further contains information on the request in the method, url, url_root, path, query_string, and resource_type fields.

Nodes#

Get a list of Node objects.

REST URL:

http://localhost:5000/api/v4/nodes?limit=2&offset=8&orderby=-id

Description:

Returns the list of two Node objects (limit=2) starting from 9th row (offset=8) of the database table and the list will be ordered by id in descending order.

Response:

{
  "data": {
    "nodes  ": [
      {
        "ctime": "Sun, 21 Jul 2019 11:45:52 GMT",
        "full_type": "data.core.dict.Dict.|",
        "id": 102618,
        "label": "",
        "mtime": "Sun, 21 Jul 2019 11:45:52 GMT",
        "node_type": "data.core.dict.Dict.",
        "process_type": null,
        "user_id": 4,
        "uuid": "a43596fe-3d95-4d9b-b34a-acabc21d7a1e"
      },
      {
        "ctime": "Sun, 21 Jul 2019 18:18:26 GMT",
        "full_type": "data.core.remote.RemoteData.|",
        "id": 102617,
        "label": "",
        "mtime": "Sun, 21 Jul 2019 18:18:26 GMT",
        "node_type": "data.core.remote.RemoteData.",
        "process_type": null,
        "user_id": 4,
        "uuid": "12f95e1c-69df-4a4b-9b06-8e69072e6108"
      }
    ]
  },
  "id": null,
  "method": "GET",
  "path": "/api/v4/nodes",
  "query_string": "limit=2&offset=8&orderby=-id",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes?limit=2&offset=8&orderby=-id",
  "url_root": "http://localhost:5000/"
}

Get a list of all nodes with attribute called pbc1:

REST URL:

http://localhost:5000/api/v4/nodes?attributes=true&attributes_filter=pbc1

Description:

Returns the list of Node objects. Every node object contains value of attribute called pbc1 if present otherwise null.

Response:

{
  "data": {
    "nodes  ": [
      {
        "attributes.pbc1": true,
        "ctime": "Sun, 21 Jul 2019 15:36:30 GMT",
        "full_type": "data.core.structure.StructureData.|",
        "id": 51310,
        "label": "",
        "mtime": "Sun, 21 Jul 2019 15:36:30 GMT",
        "node_type": "data.core.structure.StructureData.",
        "process_type": null,
        "user_id": 4,
        "uuid": "98de8d6d-f533-4f97-a8ad-7720cc5ca8f6"
      },
      {
        "attributes.pbc1": null,
        "ctime": "Sun, 21 Jul 2019 15:44:14 GMT",
        "full_type": "data.core.dict.Dict.|",
        "id": 51311,
        "label": "",
        "mtime": "Sun, 21 Jul 2019 15:44:14 GMT",
        "node_type": "data.core.dict.Dict.",
        "process_type": null,
        "user_id": 4,
        "uuid": "321795fa-338e-4852-ae72-2eb30e33386e"
      }
      ...
    ]
  },
  "id": null,
  "method": "GET",
  "path": "/api/v4/nodes",
  "query_string": "limit=2&offset=8&orderby=-id",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes?limit=2&offset=8&orderby=-id",
  "url_root": "http://localhost:5000/"
}

Get a list of all available Node types from the database.

REST URL:

http://localhost:5000/api/v4/nodes/full_types

Description:

Returns the list of full_types from database.

Response:

{
    "data": {
        "full_type": "node.%|%",
        "label": node,
        "namespace": "node",
        "path": "node",
        "subspaces": [...]
    },
    "id": null,
    "method": "GET",
    "path": "/api/v4/nodes/full_types",
    "query_string": "",
    "resource_type": "nodes",
    "url": "http://localhost:5000/api/v4/nodes/full_types",
    "url_root": "http://localhost:5000/"
}

Get a list of all available download formats.

REST URL:

http://localhost:5000/api/v4/nodes/download_formats

Description:

Returns the list of available download formats.

Response:

{
    "data": {
        "data.core.array.bands.BandsData.|": [
            "agr",
            "agr_batch",
            "dat_blocks",
            "dat_multicolumn",
            "gnuplot",
            "json",
            "mpl_pdf",
            "mpl_png",
            "mpl_singlefile",
            "mpl_withjson"
        ],
        "data.core.array.trajectory.TrajectoryData.|": [
            "cif",
            "xsf"
        ],
        "data.core.cif.CifData.|": [
            "cif"
        ],
        "data.core.structure.StructureData.|": [
            "chemdoodle",
            "cif",
            "xsf",
            "xyz"
        ],
        "data.core.upf.UpfData.|": [
            "upf"
        ]
    },
    "id": null,
    "method": "GET",
    "path": "/api/v4/nodes/download_formats",
    "query_string": "",
    "resource_type": "nodes",
    "url": "http://localhost:5000/api/v4/nodes/download_formats",
    "url_root": "http://localhost:5000/"
}

Get the details of a single Node object.

REST URL:

http://localhost:5000/api/v4/nodes/12f95e1c

Description:

Returns the details of the Node object with uuid="12f95e1c...".

Response:

{
  "data": {
    "nodes  ": [
      {
        "ctime": "Sun, 21 Jul 2019 18:18:26 GMT",
        "full_type": "data.core.remote.RemoteData.|",
        "id": 102617,
        "label": "",
        "mtime": "Sun, 21 Jul 2019 18:18:26 GMT",
        "node_type": "data.core.remote.RemoteData.",
        "process_type": null,
        "user_id": 4,
        "uuid": "12f95e1c-69df-4a4b-9b06-8e69072e6108"
      }
    ]
  },
  "id": "12f95e1c",
  "method": "GET",
  "path": "/api/v4/nodes/12f95e1c",
  "query_string": "",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes/12f95e1c",
  "url_root": "http://localhost:5000/"
}

Get the list of incoming of a specific Node.

REST URL:

http://localhost:5000/api/v4/nodes/de83b1/links/incoming?limit=2

Description:

Returns the list of the first two input nodes (limit=2) of the Node object with uuid="de83b#...".

Response:

{
  "data": {
    "incoming": [
      {
        "ctime": "Sun, 21 Jul 2019 08:02:23 GMT",
        "full_type": "data.core.dict.Dict.|",
        "id": 53770,
        "label": "",
        "link_label": "settings",
        "link_type": "input_calc",
        "mtime": "Sun, 21 Jul 2019 08:02:23 GMT",
        "node_type": "data.core.dict.Dict.",
        "process_type": null,
        "user_id": 4,
        "uuid": "31993382-c1ab-4822-a116-bd88697f2796"
      },
      {
        "ctime": "Fri, 28 Jun 2019 10:54:25 GMT",
        "full_type": "data.core.upf.UpfData.|",
        "id": 54502,
        "label": "",
        "link_label": "pseudos__N",
        "link_type": "input_calc",
        "mtime": "Fri, 28 Jun 2019 10:54:28 GMT",
        "node_type": "data.core.upf.UpfData.",
        "process_type": null,
        "user_id": 4,
        "uuid": "2e2df55d-27a5-4b34-bf7f-911b16da95f0"
      }
    ]
  },
  "id": "de83b1",
  "method": "GET",
  "path": "/api/v4/nodes/de83b1/links/incoming",
  "query_string": "limit=2",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes/de83b1/links/incoming?limit=2",
  "url_root": "http://localhost:5000/"
}

Filter the incoming/outgoing of a Node by their full type.

REST URL:

http://localhost:5000/api/v4/nodes/de83b1/links/incoming?full_type="data.core.dict.Dict.|"

Description:

Returns the list of the dict incoming nodes of the Node object with uuid="de83b1...".

Response:

{
  "data": {
    "incoming": [
      {
        "ctime": "Sun, 21 Jul 2019 08:02:23 GMT",
        "full_type": "data.core.dict.Dict.|",
        "id": 53770,
        "label": "",
        "link_label": "settings",
        "link_type": "input_calc",
        "mtime": "Sun, 21 Jul 2019 08:02:23 GMT",
        "node_type": "data.core.dict.Dict.",
        "process_type": null,
        "user_id": 4,
        "uuid": "31993382-c1ab-4822-a116-bd88697f2796"
      }
    ]
  },
  "id": "de83b1",
  "method": "GET",
  "path": "/api/v4/nodes/de83b1/links/incoming",
  "query_string": "full_type=%22data.core.dict.Dict.|%22",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes/de83b1/links/incoming?full_type=\"data.core.dict.Dict.|\"",
  "url_root": "http://localhost:5000/"
}

REST URL:

http://localhost:5000/api/v4/nodes/de83b1/links/outgoing?full_type="data.core.dict.Dict.|"

Description:

Returns the list of the dict outgoing nodes of the Node object with uuid="de83b1...".

Response:

{
  "data": {
    "outgoing": [
      {
        "ctime": "Sun, 21 Jul 2019 09:08:05 GMT",
        "full_type": "data.core.dict.Dict.|",
        "id": 67440,
        "label": "",
        "link_label": "output_parameters",
        "link_type": "create",
        "mtime": "Sun, 21 Jul 2019 09:08:05 GMT",
        "node_type": "data.core.dict.Dict.",
        "process_type": null,
        "user_id": 4,
        "uuid": "861e1108-33a1-4495-807b-8c5189ad74e3"
      }
    ]
  },
  "id": "de83b1",
  "method": "GET",
  "path": "/api/v4/nodes/de83b1/links/outgoing",
  "query_string": "full_type=%22data.core.dict.Dict.|%22",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes/de83b1/links/outgoing?full_type=\"data.core.dict.Dict.|\"",
  "url_root": "http://localhost:5000/"
}

Getting the list of the attributes/extras of a specific Node.

REST URL:

http://localhost:5000/api/v4/nodes/ffe11/contents/attributes

Description:

Returns the list of all attributes of the Node object with uuid="ffe11...".

Response:

{
  "data": {
    "attributes": {
      "append_text": "",
      "input_plugin": "quantumespresso.pw",
      "is_local": false,
      "prepend_text": "",
      "remote_exec_path": "/project/espresso-5.1-intel/bin/pw.x"
    }
  },
  "id": "ffe11",
  "method": "GET",
  "path": "/api/v4/nodes/ffe11/contents/attributes",
  "query_string": "",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes/ffe11/contents/attributes",
  "url_root": "http://localhost:5000/"
}

REST URL:

http://localhost:5000/api/v4/nodes/ffe11/contents/extras

Description:

Returns the list of all the extras of the Node object with uuid="ffe11...".

Response:

{
  "data": {
    "extras": {
      "trialBool": true,
      "trialFloat": 3.0,
      "trialInt": 34,
      "trialStr": "trial"
    }
  },
  "id": "ffe11",
  "method": "GET",
  "path": "/api/v4/nodes/ffe11/contents/extras",
  "query_string": "",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes/ffe11/contents/extras",
  "url_root": "http://localhost:5000/"
}

Getting a user-defined list of attributes/extras of a specific Node.

REST URL:

http://localhost:5000/api/v4/nodes/ffe11/contents/attributes?attributes_filter=append_text,is_local

Description:

Returns a list of the attributes append_text and is_local of the Node object with uuid="ffe11...".

Response:

{
  "data": {
    "attributes": {
      "append_text": "",
      "is_local": false
    }
  },
  "id": "ffe11",
  "method": "GET",
  "path": "/api/v4/nodes/ffe11/contents/attributes",
  "query_string": "attributes_filter=append_text,is_local",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes/ffe11/contents/attributes?attributes_filter=append_text,is_local",
  "url_root": "http://localhost:5000/"
}

REST URL:

http://localhost:5000/api/v4/nodes/ffe11/contents/extras?extras_filter=trialBool,trialInt

Description:

Returns a list of the extras trialBool and trialInt of the Node object with uuid="ffe11...".

Response:

{
  "data": {
    "extras": {
      "trialBool": true,
      "trialInt": 34
    }
  },
  "id": "ffe11",
  "method": "GET",
  "path": "/api/v4/nodes/ffe11/contents/extras",
  "query_string": "extras_filter=trialBool,trialInt",
  "resource_type": "nodes",
  "url": "http://localhost:5000/api/v4/nodes/ffe11/contents/extras?extras_filter=trialBool,trialInt",
  "url_root": "http://localhost:5000/"
}

Get comments of specific Node.

REST URL:

http://localhost:5000/api/v4/nodes/ffe11/contents/comments

Description:

Returns comments of the given Node.

Response:

{
    "data": {
        "comments": ["This is test comment.", "Add another comment."]
    },
    "id": "ffe11",
    "method": "GET",
    "path": "/api/v4/nodes/ffe11/contents/comments/",
    "query_string": "",
    "resource_type": "nodes",
    "url": "http://localhost:5000/api/v4/nodes/ffe11/contents/comments/",
    "url_root": "http://localhost:5000/"
}

Get list of all the files/directories from the repository of a specific Node.

REST URL:

http://localhost:5000/api/v4/nodes/ffe11/repo/list

Description:

Returns a list of all the files/directories from node repository

Response:

{
    "data": {
        "repo_list": [
            {
                "name": ".aiida",
                "type": "DIRECTORY"
            },
            {
                "name": "_aiidasubmit.sh",
                "type": "FILE"
            },
            {
                "name": "aiida.in",
                "type": "FILE"
            },
            {
                "name": "out",
                "type": "DIRECTORY"
            },
            {
                "name": "pseudo",
                "type": "DIRECTORY"
            }
        ]
    },
    "id": "ffe11",
    "method": "GET",
    "path": "/api/v4/nodes/ffe11/repo/list/",
    "query_string": "",
    "resource_type": "nodes",
    "url": "http://localhost:5000/api/v4/nodes/ffe11/repo/list/",
    "url_root": "http://localhost:5000/"
}

Download a file from the repository of a Node.
REST URL:
http://localhost:5000/api/v4/nodes/ffe11/repo/contents?filename="aiida.in"
Description:

Downloads the file aiida.in from node repository

Response:
It downloads the file.
There are specific download formats (check nodes/download_formats endpoint) available to download different types of nodes.
This endpoint is used to download file in given format.

REST URL:
http://localhost:5000/api/v4/nodes/fafdsf/download?download_format=xsf
Description:

Downloads structure node of uuid=fafdsf in xsf format

Response:
It downloads the file.

Processes#

Get the report of a ProcessNode.

REST URL:

http://localhost:5000/api/v4/processes/8b95cd85/report

Description:

Returns report of process of uuid="8b95cd85-...."

Response:

{
    "data": {
        "logs": []
    },
    "id": "8b95cd85",
    "method": "GET",
    "path": "/api/v4/processes/8b95cd85/report",
    "query_string": "",
    "resource_type": "processes",
    "url": "http://localhost:5000/api/v4/processes/8b95cd85/report",
    "url_root": "http://localhost:5000/"
}

CalcJobs#

Get a list of input or output files of given CalcJobNode.

REST URL:

http://localhost:5000/api/v4/calcjobs/sffs241j/input_files

Description:

Returns a list of all input files of given CalcJobNode of uuid="sffs241j-...."

Response:

{
    "data": [
        {
            "name": ".aiida",
            "type": "DIRECTORY"
        },
        {
            "name": "_aiidasubmit.sh",
            "type": "FILE"
        },
        {
            "name": "aiida.in",
            "type": "FILE"
        },
        {
            "name": "out",
            "type": "DIRECTORY"
        },
        ...
    ],
    "id": "sffs241j",
    "method": "GET",
    "path": "/api/v4/calcjobs/sffs241j/input_files",
    "query_string": "",
    "resource_type": "calcjobs",
    "url": "http://localhost:5000/api/v4/calcjobs/sffs241j/input_files",
    "url_root": "http://localhost:5000/"
}

Computers#

Get a list of Computer objects.

REST URL:

http://localhost:5000/api/v4/computers?limit=3&offset=2&orderby=id

Description:

Returns the list of three Computer objects (limit=3) starting from the 3rd row (offset=2) of the database table. The list will be ordered by ascending values of id.

Response:

{
  "data": {
    "computers": [
      {
        "description": "Alpha Computer",
        "hostname": "alpha.aiida.net",
        "id": 3,
        "name": "Alpha",
        "scheduler_type": "core.slurm",
        "transport_type": "core.ssh",
        "uuid": "9b5c84bb-4575-4fbe-b18c-b23fc30ec55e"
      },
      {
        "description": "Beta Computer",
        "hostname": "beta.aiida.net",
        "id": 4,
        "name": "Beta",
        "scheduler_type": "core.slurm",
        "transport_type": "core.ssh",
        "uuid": "5d490d77-638d-4d4b-8288-722f930783c8"
      },
      {
        "description": "Gamma Computer",
        "hostname": "gamma.aiida.net",
        "id": 5,
        "name": "Gamma",
        "scheduler_type": "core.slurm",
        "transport_type": "core.ssh",
        "uuid": "7a0c3ff9-1caf-405c-8e89-2369cf91b634"
      }
    ]
  },
  "id": null,
  "method": "GET",
  "path": "/api/v4/computers",
  "query_string": "limit=3&offset=2&orderby=id",
  "resource_type": "computers",
  "url": "http://localhost:5000/api/v4/computers?limit=3&offset=2&orderby=id",
  "url_root": "http://localhost:5000/"
}

Get details of a single Computer object:

REST URL:

http://localhost:5000/api/v4/computers/5d490d77

Description:

Returns the details of the Computer object uuid="5d490d77-638d...".

Response:

{
  "data": {
    "computers": [
      {
        "description": "Beta Computer",
        "hostname": "beta.aiida.net",
        "id": 4,
        "name": "Beta",
        "scheduler_type": "core.slurm",
        "transport_type": "core.ssh",
        "uuid": "5d490d77-638d-4d4b-8288-722f930783c8"
      }
    ]
  },
  "id": null,
  "method": "GET",
  "path": "/api/v4/computers/5d490d77",
  "query_string": "",
  "resource_type": "computers",
  "url": "http://localhost:5000/api/v4/computers/5d490d77",
  "url_root": "http://localhost:5000/"
}

Users#

Getting a list of the User s

REST URL:

http://localhost:5000/api/v4/users/

Description:

Returns a list of all the User objects.

Response:

{
  "data": {
    "users": [
      {
        "first_name": "AiiDA",
        "id": 1,
        "institution": "",
        "last_name": "Daemon"
      },
      {
        "first_name": "Gengis",
        "id": 2,
        "institution": "",
        "last_name": "Khan"
      }
    ]
  },
  "id": null,
  "method": "GET",
  "path": "/api/v4/users/",
  "query_string": "",
  "resource_type": "users",
  "url": "http://localhost:5000/api/v4/users/",
  "url_root": "http://localhost:5000/"
}

Getting a list of User s whose first name starts with a given string

REST URL:

http://localhost:5000/api/v4/users/?first_name=ilike="aii%"

Description:

Returns a lists of the User objects whose first name starts with "aii", regardless the case of the characters.

Response:

{
  "data": {
    "users": [
      {
        "first_name": "AiiDA",
        "id": 1,
        "institution": "",
        "last_name": "Daemon"
      }
    ]
  },
  "id": null,
  "method": "GET",
  "path": "/api/v4/users/",
  "query_string": "first_name=ilike=%22aii%%22",
  "resource_type": "users",
  "url": "http://localhost:5000/api/v4/users/?first_name=ilike=\"aii%\"",
  "url_root": "http://localhost:5000/"
}

Groups#

Getting a list of Group s

REST URL:

http://localhost:5000/api/v4/groups/?limit=10&orderby=-user_id

Description:

Returns the list of ten Group objects (limit=10) starting from the 1st row of the database table (offset=0) and the list will be ordered by user_id in descending order.

Response:

{
  "data": {
    "groups": [
      {
        "description": "",
        "id": 104,
        "label": "SSSP_new_phonons_0p002",
        "type_string": "",
        "user_id": 2,
        "uuid": "7c0e0744-8549-4eea-b1b8-e7207c18de32"
      },
      {
        "description": "",
        "id": 102,
        "label": "SSSP_cubic_old_phonons_0p025",
        "type_string": "",
        "user_id": 1,
        "uuid": "c4e22134-495d-4779-9259-6192fcaec510"
      },
      ...

    ]
  },
  "id": null,
  "method": "GET",
  "path": "/api/v4/groups/",
  "query_string": "limit=10&orderby=-user_id",
  "resource_type": "groups",
  "url": "http://localhost:5000/api/v4/groups/?limit=10&orderby=-user_id",
  "url_root": "http://localhost:5000/"
}

Getting the details of a specific group

REST URL:

http://localhost:5000/api/v4/groups/a6e5b

Description:

Returns the details of the Group object with uuid="a6e5b...".

Response:

{
  "data": {
    "groups": [
      {
        "description": "GBRV US pseudos, version 1.2",
        "id": 23,
        "label": "GBRV_1.2",
        "type_string": "data.core.upf.family",
        "user_email": "aiida@theossrv5.epfl.ch",
        "user_id": 2,
        "uuid": "a6e5b6c6-9d47-445b-bfea-024cf8333c55"
      }
    ]
  },
  "id": "a6e5b,
  "method": "GET",
  "path": "/api/v4/groups/a6e5b",
  "query_string": "",
  "resource_type": "groups",
  "url": "http://localhost:5000/api/v4/groups/a6e5b",
  "url_root": "http://localhost:5000/"
}

Querybuilder#

REST URL:
http://localhost:5000/api/v4/querybuilder
Description:

Posts a query to the database. The content of the query is passed in a attached JSON file.

To use this endpoint, you need a http operator that allows to pass attachments. We will demonstrate two options, the HTTPie (to use in the terminal) and the python library Requests (to use in python).

Option 1: HTTPie

Install HTTPie by typing in the terminal:

$ pip install httpie

Then execute the REST API call with

$ http localhost:5000/api/v4/querybuilder < my_query.json

where my_query.json is the file containing the query dictionary of in the json format.

Response:

{
    "data": {
        "Code_1": [
            {
                "attributes": {
                    "append_text": " ",
                    "input_plugin": "quantumespresso.ph",
                    "is_local": false,
                    "prepend_text": "ulimit -s unlimited",
                    "remote_exec_path": "/home/ubuntu/codes/q-e/bin/ph.x"
                },
                "ctime": "Wed, 16 Dec 2020 11:50:03 GMT",
                "dbcomputer_id": 1,
                "description": "phonon quantum_espresso v6.6",
                "extras": {
                    "_aiida_hash": "045368af9cfeafa6fe3b0c6707e71b85cbef4fec55514ad0068c3ff19193e11f",
                    "hidden": false
                },
                "full_type": "data.code.Code.|",
                "id": 3428,
                "label": "q-e_6.6_ph",
                "mtime": "Wed, 16 Dec 2020 11:50:03 GMT",
                "node_type": "data.code.Code.",
                "process_type": null,
                "user_id": 1,
                "uuid": "7565cf2a-8219-4c2b-bbae-9c6cd3d95aa2"
            },
            {
                "attributes": {
                    "append_text": " ",
                    "input_plugin": "quantumespresso.pp",
                    "is_local": false,
                    "prepend_text": "ulimit -s unlimited",
                    "remote_exec_path": "/home/ubuntu/codes/q-e/bin/pp.x"
                },
                "ctime": "Mon, 14 Dec 2020 16:44:20 GMT",
                "dbcomputer_id": 1,
                "description": "postproc quantum_espresso v6.6",
                "extras": {
                    "_aiida_hash": "1dca299bb587e002ac7aa745b5fd0b8893105dc0a16acefdfbc6188637dad05f",
                    "hidden": false
                },
                "full_type": "data.code.Code.|",
                "id": 1822,
                "label": "q-e_6.6_pp",
                "mtime": "Mon, 14 Dec 2020 16:44:20 GMT",
                "node_type": "data.code.Code.",
                "process_type": null,
                "user_id": 1,
                "uuid": "a1b0530d-1a8d-413c-a4bd-af79868926c8"
            },
            {
                "attributes": {
                    "append_text": " ",
                    "input_plugin": "quantumespresso.pw",
                    "is_local": false,
                    "prepend_text": "ulimit -s unlimited",
                    "remote_exec_path": "/home/ubuntu/codes/q-e/bin/pw.x"
                },
                "ctime": "Thu, 19 Nov 2020 14:38:42 GMT",
                "dbcomputer_id": 1,
                "description": "quantum_espresso v6.6",
                "extras": {
                    "_aiida_hash": "e714b9e79656a0cf1c24d19a92f3553c3052d103b4f5b25bd2ae89581cb4886e",
                    "hidden": false
                },
                "full_type": "data.code.Code.|",
                "id": 1,
                "label": "q-e_6.6_pw",
                "mtime": "Thu, 19 Nov 2020 14:38:42 GMT",
                "node_type": "data.code.Code.",
                "process_type": null,
                "user_id": 1,
                "uuid": "e48ec85b-3034-435b-ac96-d5ba37df393e"
            }
        ]
    },
    "method": "POST",
    "path": "/api/v4/querybuilder",
    "query_string": "",
    "resource_type": "QueryBuilder",
    "url": "http://localhost:5000/api/v4/querybuilder",
    "url_root": "http://localhost:5000/"
}

The easiest way to construct the query json file is by using the QueryBuilder from AiiDA as we will demonstrate next. Open a verdi shell section:

$ verdi shell

Build your query and save it in a file:

In [1]: qb = QueryBuilder()

In [2]: qb.append(Code)
Out[2]: <aiida.orm.querybuilder.QueryBuilder at 0x7f2bbeedd700>

In [3]: qb_dict = qb.queryhelp

In [4]: import json

In [5]: with open('my_query.json', 'w') as file:
  ...:     json.dump(qb_dict, file)

Check the content of the my_query.json:

{
  "path": [
    {
      "entity_type": "data.code.Code.",
      "tag": "Code_1",
      "joining_keyword": null,
      "joining_value": null,
      "outerjoin": false,
      "edge_tag": null
    }
  ],
  "filters": {
    "Code_1": {
      "node_type": {
        "like": "data.code.%"
      }
    }
  },
  "project": {
    "Code_1": []
  },
  "order_by": {},
  "limit": null,
  "offset": null
}

Option 2: Resquests library (all python approach)

Here is a short example on how to do it in python:

from aiida.orm import QueryBuilder, Code
from aiida import load_profile
import requests

load_profile('my_profile')

qb = QueryBuilder()
qb.append(Code)

qb_dict = qb.queryhelp

response = requests.post('http://localhost:5000/api/v4/querybuilder/', json=qb_dict)

response.json()

One should then have the same response as before.

Pagination#

Pages of 20 results each are accessed by appending /page/2 (2nd page) to the URL path. The page limit can be controlled via the perpage=(PERPAGE) query string (maximum page limit is 400). Examples:

http://localhost:5000/api/v4/computers/page/1?
http://localhost:5000/api/v4/computers/page/1?perpage=5
http://localhost:5000/api/v4/computers/page

If no page number is specified, the system redirects the request to page 1. When pagination is used, the header of the response contains two more non-empty fields:

X-Total-Counts (custom field): the total number of results returned by the query, i.e. the sum of the results of all pages.

Links: links to the first, previous, next, and last page. Suppose that you send a request whose results fill 8 pages. Then the value of the Links field would look like:

<\http://localhost:5000/.../page/1?... >; rel=first,
<\http://localhost:5000/.../page/3?... >; rel=prev,
<\http://localhost:5000/.../page/5?... >; rel=next,
<\http://localhost:5000/.../page/8?... >; rel=last

Besides pagination, the number of results can also be controlled using the limit and offset filters, see below.

Filtering results#

The filter query string is formed by one or more fields, separated by the special character &.

Each field has the form (key)(operator)(value).

Note

Fields can only contain alphanumeric characters plus _, and the first character cannot be a number (similar to Python variable names).

Note

In the following id is a synonym for the PK used in other sections of the documentation.

Filter keys#

Unique filters can be specified only once in a query string. All of them must be followed by the operator =.

Table 1 Unique filters#
Filter key	Description
`limit`	Number of results (integer).
`offset`	Skips the first `offset` results (integer).
`perpage`	How many results to show per page (integer).
`orderby`	`+<property>` for ascending order and `-<property>` for descending order (`<property` defaults to ascending). Ascending (descending) order for strings corresponds to alphabetical (reverse-alphabetical) order, whereas for datetime objects it corresponds to chronological (reverse-chronological) order. Examples: http://localhost:5000/api/v4/computers?orderby=+id http://localhost:5000/api/v4/computers?orderby=+name http://localhost:5000/api/v4/computers?orderby=-uuid
`attributes_filter`	A comma-separated list of attributes to return. Use together with `attributes=true`. Available in the endpoints `/contents/attributes` and `/nodes`. Example: http://localhost:5000/api/v4/nodes/4fb10ef1/contents/attributes?attributes_filter=append_text,prepend_text
`extras_filter`	Similar to `attributes_filter` but for extras. It is used in the endpoints `/contents/extras` and `/nodes`.
`attributes`	Pass `true` in order to return attributes in the `/nodes` endpoint (excluded by default).
`extras`	Pass `true` in order to return extras in the `/nodes` endpoint (excluded by default).
`download_format`	to specify download format in `/download` endpoint.
`download`	in `/download` endpoint, if `download=false` it displays the content in the browser instead of downloading a file.
`filename`	this filter is used to pass file name in `/repo/list` and `/repo/contents` endpoint.
`tree_in_limit`	specifies the limit on tree incoming nodes.
`tree_out_limit`	specifies the limit on tree outgoing nodes.

Regular filters can be compounded, requiring all specified filters to apply.

Table 2 Regular filters#
Filter key	Value type	Supported resources
`attributes`	string	nodes
`ctime`	datetime	nodes
`description`	string	computers, groups, nodes
`email` *	string	users
`first_name`	string	users
`full_type`	string	nodes
`hostname`	string	computers
`id`	integer	users, computers, groups, nodes
`institution`	string	users
`label`	string	groups, nodes
`last_name`	string	users
`mtime`	datetime	nodes
`name`	string	computers
`node_type`	string	nodes
`scheduler_type`	string	computers
`transport_type`	string	computers
`type_string`	string	groups
`user_id`	integer	groups
`uuid`	string	computers, groups, nodes

* Key filtered out in response of the /users/ endpoint privacy reasons.

Note

Node types are specified by a string that defines their position in the AiiDA source tree, ending with a dot. Examples:

node_type="data.core.code.Code." selects only objects of type Code.
node_type="data.core.remote.RemoteData." selects only objects of type RemoteData.

Note

When using the links/incoming (links/outgoing) endpoints in combination with one or more filters, the filters are applied to the incoming (outgoing) nodes of the selected id. For example, the request:

http://localhost:5000/api/v4/nodes/a67fba41/links/outgoing?full_type="data.core.dict.Dict.|"

would first search for the outgoing of the node with uuid starting with “a67fba41” and then select only those nodes of full_type data.core.core.dict.Dict.|.

Filter operators#

The operators supported by a specific filter key are uniquely determined by the value type associated with that key.

For example, a key that requires a boolean value admits only the identity operator =, whereas an integer value enables the usage of the comparison operators =, <, <=, >, >= plus the membership operator =in=:

Table 3 Filter operators#
Operator	Meaning	Accepted value types
`=`	identity	integers, strings, bool, datetime
`>`	greater than	integers, strings, datetime
`<`	less than	integers, strings, datetime
`>=`	greater than or equal to	integers, strings, datetime
`<=`	less than or equal to	integers, strings, datetime
`=like=`	pattern matching	strings
`=ilike=`	case-insensitive pattern matching	strings
`=in=`	identity with one element of a list	integers, strings, datetime

Pattern matching#

The pattern matching operators =like= and =ilike= must be followed by the pattern definition, namely, a string where two characters assume special meaning:

% is used to replace an arbitrary sequence of characters, including no characters.
_ is used to replace one or zero characters.

Note

When special characters are required verbatim, escape them by pre-pending a backslash \.

Table 4 Pattern matching with `=like=` and `=ilike=`#
Filter	Matches	Doesn’t match
`name=like="a%d_"`	“aiida”	“AiiDA”
`name=ilike="a%d_"`	“aiida”, “AiiDA”
`name=like="a_d_"`		“aiida”
`name=like="aii%d_a"`	“aiida”
`uuid=like="cdfd48%"`	“cdfd48f9-7ed2-4969-ba06-09c752b83d2”
`description=like="This calculation is %\% useful"`	“This calculation is 100% useful”

Membership#

The membership operator =in= has to be followed by a comma-separated list of values of the same type. The condition is fulfilled if the column value of an object is an element of the list.

Examples:

http://localhost:5000/api/v4/nodes?id=in=45,56,78
http://localhost:5000/api/v4/computers/?scheduler_type=in="core.slurm","core.pbs"

Comparison#

The comparison operators <, >, <=, >= assume natural ordering for integers, (case-insensitive) alphabetical ordering for strings, and chronological ordering for datetime values.

Examples:

http://localhost:5000/api/v4/nodes?id>578 selects the nodes having an id larger than 578.
http://localhost:5000/api/v4/users/?last_name<="m" selects only the users whose last name begins with a character in the range [a-m].

Filter value types#

Filter values should be specified as follows:

Table 5 Filter value types#
Value type	Description
`bool`	Either `true` or `false` (lower case).
`datetime`	Datetime objects expressed in the format `(DATE)T(TIME)(SHIFT)` where `(SHIFT)` is the time difference with respect to the UTC time. This is required to avoid any problem arising from comparing datetime values expressed in different time zones. The formats of each field are: `YYYY-MM-DD` for `(DATE)` (mandatory). `HH:MM:SS` for `(TIME)` (optional). The formats `HH` and `HH:MM` are supported too. `+/-HH:MM` for `(SHIFT)` (optional, if present requires `(TIME)` to be specified). The format `+/-HH` is allowed too. If no shift is specified UTC time is assumed. The shift format follows the general convention that eastern (western) shifts are positive (negative). The API is unaware of daylight saving times so the user is required to adjust the shift to take them into account. This format is `ISO-8601` compliant. Note that date and time fields have to be separated by the character `T`. Examples: http://localhost:5000/api/v4/nodes?ctime>2019-04-23T05:45+03:45 http://localhost:5000/api/v4/nodes?ctime<2019-04-23T05:45 http://localhost:5000/api/v4/nodes?mtime>=2019-04-23
`integer`	Positive integer numbers.
`string`	Text enclosed in double quotes. If the string contains double quotes those have to be escaped as `""` (two double quotes). Note that in the unlikely occurrence of a sequence of double quotes you will have to escape it by writing twice as many double quotes.