# -*- coding: utf-8 -*-
###########################################################################
# Copyright (c), The AiiDA team. All rights reserved. #
# This file is part of the AiiDA code. #
# #
# The code is hosted on GitHub at https://github.com/aiidateam/aiida-core #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
""""Implementation of `DbImporter` for the TCOD database."""
from aiida.tools.dbimporters.plugins.cod import CodDbImporter, CodEntry, CodSearchResults
[docs]class TcodDbImporter(CodDbImporter):
"""
Database importer for Theoretical Crystallography Open Database.
"""
[docs] def __init__(self, **kwargs):
super().__init__(**kwargs)
self._db_parameters = {'host': 'www.crystallography.net', 'user': 'cod_reader', 'passwd': '', 'db': 'tcod'}
self.setup_db(**kwargs)
[docs] def query(self, **kwargs):
"""
Performs a query on the TCOD database using ``keyword = value`` pairs,
specified in ``kwargs``.
:return: an instance of
:py:class:`aiida.tools.dbimporters.plugins.tcod.TcodSearchResults`.
"""
query_statement = self.query_sql(**kwargs)
self._connect_db()
results = []
try:
self._cursor.execute(query_statement)
self._db.commit()
for row in self._cursor.fetchall():
results.append({'id': str(row[0]), 'svnrevision': str(row[1])})
finally:
self._disconnect_db()
return TcodSearchResults(results)
[docs]class TcodSearchResults(CodSearchResults):
"""
Results of the search, performed on TCOD.
"""
# pylint: disable=abstract-method
_base_url = 'http://www.crystallography.net/tcod/'
[docs] def __init__(self, results):
super().__init__(results)
self._return_class = TcodEntry
[docs]class TcodEntry(CodEntry):
"""
Represents an entry from TCOD.
"""
# pylint: disable=abstract-method
_license = 'CC0'
[docs] def __init__(
self,
uri,
db_name='Theoretical Crystallography Open Database',
db_uri='http://www.crystallography.net/tcod',
**kwargs
):
"""
Creates an instance of
:py:class:`aiida.tools.dbimporters.plugins.tcod.TcodEntry`, related
to the supplied URI.
"""
super().__init__(db_name=db_name, db_uri=db_uri, uri=uri, **kwargs)