aiida.restapi package

In this module, AiiDA provides REST API to access different AiiDA nodes stored in database. The REST API is implemented using Flask RESTFul framework. The REST urls provided for node types Computer, Node (Calculation , Data, Code), Workflows.

Examples:

Computers:

http://localhost:5000/computers?(COLUMN_FILTERS)&(LIMIT)&(OFFSET)?(ORDERBY) http://localhost:5000/computers/1

NODES / CALCULATIONS / DATAS / CODES:

(replace nodes with calculations/datas/codes) http://localhost:5000/nodes?(COLUMN_FILTERS)&(LIMIT)&(OFFSET)&(SORT)

OR http://localhost:5000/nodes/pages?(COLUMN_FILTERS)&(PER_PAGE)&(SORT) http://localhost:5000/nodes/pages/1?(COLUMN_FILTERS)&(PER_PAGE)&(SORT)

http://localhost:5000/nodes/1 http://localhost:5000/nodes/1/io http://localhost:5000/nodes/1/io/inputs http://localhost:5000/nodes/1/io/inputs?(COLUMN_FILTERS) http://localhost:5000/nodes/1/io/outputs http://localhost:5000/nodes/1/io/outputs?(COLUMN_FILTERS) http://localhost:5000/nodes/1/contents/attributes http://localhost:5000/nodes/1/contents/attributes?alist=abc http://localhost:5000/nodes/1/contents/attributes?nalist=c,d http://localhost:5000/nodes/1/contents/extras http://localhost:5000/nodes/1/contents/extras?elist=a,b,c http://localhost:5000/nodes/1/contents/extras?nelist=c,d …

Subpackages

• aiida.restapi.common package
  • Submodules
• aiida.restapi.translator package
  • Subpackages
    • aiida.restapi.translator.calculation package
    • aiida.restapi.translator.data package
      • Submodules
  • Submodules

Submodules

Implementation of RESTful API for materialscloud.org based on flask + flask_restful module For the time being the API returns the parsed valid endpoints upon GET request Author: Snehal P. Waychal and Fernando Gargiulo @ Theos, EPFL

class aiida.restapi.api.AiidaApi(app=None, **kwargs)

Bases: flask_restful.Api

AiiDA customized version of the flask_restful Api class

__init__(app=None, **kwargs)

The need to have a special constructor is to include directly the addition of resources with the parameters required to initialize the resource classes.

Parameters:kwargs – parameters to be passed to the resources for configuration and PREFIX

__module__ = 'aiida.restapi.api'

handle_error(e)

this method handles the 404 “URL not found” exception and return custom message :param e: raised exception :return: list of available endpoints

class aiida.restapi.api.App(*args, **kwargs)

Bases: flask.app.Flask

Basic Flask App customized for this REST Api purposes

__init__(*args, **kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.api'

Resources for REST API

class aiida.restapi.resources.BandsData(**kwargs)

Bases: aiida.restapi.resources.Data

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.BaseResource(**kwargs)

Bases: flask_restful.Resource

Each derived class will instantiate a different type of translator. This is the only difference in the classes.

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

get(id=None, page=None)

Get method for the Computer resource :return:

methods = set(['GET'])

class aiida.restapi.resources.Calculation(**kwargs)

Bases: aiida.restapi.resources.Node

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.CifData(**kwargs)

Bases: aiida.restapi.resources.Data

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.Code(**kwargs)

Bases: aiida.restapi.resources.Node

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.Computer(**kwargs)

Bases: aiida.restapi.resources.BaseResource

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.Data(**kwargs)

Bases: aiida.restapi.resources.Node

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.Group(**kwargs)

Bases: aiida.restapi.resources.BaseResource

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.KpointsData(**kwargs)

Bases: aiida.restapi.resources.Data

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.Node(**kwargs)

Bases: flask_restful.Resource

Differs from BaseResource in trans.set_query() mostly because it takes query_type as an input and the presence of additional result types like “tree”

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

get(id=None, page=None)

Get method for the Node resource. :return:

methods = set(['GET'])

class aiida.restapi.resources.ServerInfo(**kwargs)

Bases: flask_restful.Resource

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

get()

It returns the general info about the REST API :return: returns current AiiDA version defined in aiida/__init__.py

methods = set(['GET'])

class aiida.restapi.resources.StructureData(**kwargs)

Bases: aiida.restapi.resources.Data

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.UpfData(**kwargs)

Bases: aiida.restapi.resources.Data

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

class aiida.restapi.resources.User(**kwargs)

Bases: aiida.restapi.resources.BaseResource

__init__(**kwargs)

x.__init__(…) initializes x; see help(type(x)) for signature

__module__ = 'aiida.restapi.resources'

methods = set(['GET'])

aiida.restapi.run_api.run_api(App, Api, *args, **kwargs)

Takes a flask.Flask instance and runs it. Parses command-line flags to configure the app.

App: Class inheriting from Flask app class Api = flask_restful API class to be used to wrap the app

args: required by argparse

kwargs: List of valid parameters: prog_name: name of the command before arguments are parsed. Useful when api is embedded in a command, such as verdi restapi default_host: self-explainatory default_port: self-explainatory default_config_dir = directory containing the config.py file used to configure the RESTapi parse_aiida_profile= if True, parses an option to specify the AiiDA profile All other passed parameters are ignored.