# -*- coding: utf-8 -*-
from aiida.tools.dbimporters.plugins.cod import (CodDbImporter,
CodSearchResults, CodEntry)
__copyright__ = u"Copyright (c), This file is part of the AiiDA platform. For further information please visit http://www.aiida.net/. All rights reserved."
__license__ = "MIT license, see LICENSE.txt file."
__version__ = "0.7.0"
__authors__ = "The AiiDA team."
[docs]class TcodDbImporter(CodDbImporter):
"""
Database importer for Theoretical Crystallography Open Database.
"""
def __init__(self, **kwargs):
super(TcodDbImporter, self).__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.
"""
_base_url = "http://www.crystallography.net/tcod/"
def __init__(self, results):
super(TcodSearchResults, self).__init__(results)
self._return_class = TcodEntry
[docs]class TcodEntry(CodEntry):
"""
Represents an entry from TCOD.
"""
_license = 'CC0'
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(TcodEntry, self).__init__(db_name=db_name,
db_uri=db_uri,
uri=uri,
**kwargs)