Source code for aiida.tools.dbimporters.plugins.tcod

###########################################################################
# 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




class TcodDbImporter(CodDbImporter):
    """Database importer for Theoretical Crystallography Open Database."""



    def __init__(self, **kwargs):
        super().__init__(**kwargs)
        self._db_parameters = {'host': 'www.crystallography.net', 'user': 'cod_reader', 'passwd': '', 'db': 'tcod'}
        self.setup_db(**kwargs)




    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)






class TcodSearchResults(CodSearchResults):
    """Results of the search, performed on TCOD."""

    _base_url = 'http://www.crystallography.net/tcod/'



    def __init__(self, results):
        super().__init__(results)
        self._return_class = TcodEntry






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().__init__(db_name=db_name, db_uri=db_uri, uri=uri, **kwargs)