aiida.tools.dbimporters.plugins package¶
Submodules¶
-
class
aiida.tools.dbimporters.plugins.cod.
CodDbImporter
(**kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbImporter
Database importer for Crystallography Open Database.
-
__module__
= 'aiida.tools.dbimporters.plugins.cod'¶
-
_composition_clause
(key, alias, values)[source]¶ Returns SQL query predicate for querying elements in formula fields.
-
_double_clause
(key, alias, values, precision)[source]¶ Returns SQL query predicate for querying double-valued fields.
-
_formula_clause
(key, alias, values)[source]¶ Returns SQL query predicate for querying formula fields.
-
_keywords
= {'a': ['a', <function _length_clause at 0x7f842072e6e0>], 'alpha': ['alpha', <function _angle_clause at 0x7f842072e7d0>], 'authors': ['authors', <function _str_fuzzy_clause at 0x7f8420693488>], 'b': ['b', <function _length_clause at 0x7f842072e6e0>], 'beta': ['beta', <function _angle_clause at 0x7f842072e7d0>], 'c': ['c', <function _length_clause at 0x7f842072e6e0>], 'chemical_name': ['chemname', <function _str_fuzzy_clause at 0x7f8420693488>], 'determination_method': ['method', <function _str_exact_or_none_clause at 0x7f84202f4e60>], 'diffraction_pressure': ['diffrpressure', <function _pressure_clause at 0x7f842072e758>], 'diffraction_temp': ['diffrtemp', <function _temperature_clause at 0x7f842072e2a8>], 'doi': ['doi', <function _str_exact_clause at 0x7f84202f4de8>], 'element': ['element', <function _composition_clause at 0x7f84203f7de8>], 'first_page': ['firstpage', <function _str_exact_clause at 0x7f84202f4de8>], 'formula': ['formula', <function _formula_clause at 0x7f84202f4938>], 'gamma': ['gamma', <function _angle_clause at 0x7f842072e7d0>], 'id': ['file', <function _int_clause at 0x7f84202f4b18>], 'journal': ['journal', <function _str_fuzzy_clause at 0x7f8420693488>], 'journal_issue': ['issue', <function _str_exact_clause at 0x7f84202f4de8>], 'journal_volume': ['volume', <function _int_clause at 0x7f84202f4b18>], 'last_page': ['lastpage', <function _str_exact_clause at 0x7f84202f4de8>], 'measurement_pressure': ['cellpressure', <function _pressure_clause at 0x7f842072e758>], 'measurement_temp': ['celltemp', <function _temperature_clause at 0x7f842072e2a8>], 'mineral_name': ['mineral', <function _str_fuzzy_clause at 0x7f8420693488>], 'number_of_elements': ['nel', <function _int_clause at 0x7f84202f4b18>], 'spacegroup': ['sg', <function _str_exact_clause at 0x7f84202f4de8>], 'spacegroup_hall': ['sgHall', <function _str_exact_clause at 0x7f84202f4de8>], 'title': ['title', <function _str_fuzzy_clause at 0x7f8420693488>], 'volume': ['vol', <function _volume_clause at 0x7f842072ed70>], 'year': ['year', <function _int_clause at 0x7f84202f4b18>], 'z': ['Z', <function _int_clause at 0x7f84202f4b18>]}¶
-
_length_clause
(key, alias, values)[source]¶ Returns SQL query predicate for querying lattice vector lengths.
-
_str_exact_clause
(key, alias, values)[source]¶ Returns SQL query predicate for querying string fields.
-
_str_exact_or_none_clause
(key, alias, values)[source]¶ Returns SQL query predicate for querying string fields, allowing to use Python’s “None” in addition.
-
_str_fuzzy_clause
(key, alias, values)[source]¶ Returns SQL query predicate for fuzzy querying of string fields.
-
_temperature_clause
(key, alias, values)[source]¶ Returns SQL query predicate for querying temperature.
-
_volume_clause
(key, alias, values)[source]¶ Returns SQL query predicate for querying unit cell volume.
-
angle_precision
= 0.001¶
-
get_supported_keywords
()[source]¶ Returns the list of all supported query keywords.
Returns: list of strings
-
length_precision
= 0.001¶
-
pressure_precision
= 1¶
-
query
(**kwargs)[source]¶ Performs a query on the COD database using
keyword = value
pairs, specified inkwargs
.Returns: an instance of aiida.tools.dbimporters.plugins.cod.CodSearchResults
.
-
query_sql
(**kwargs)[source]¶ Forms a SQL query for querying the COD database using
keyword = value
pairs, specified inkwargs
.Returns: string containing a SQL statement.
-
temperature_precision
= 0.001¶
-
volume_precision
= 0.001¶
-
-
class
aiida.tools.dbimporters.plugins.cod.
CodEntry
(uri, db_name='Crystallography Open Database', db_uri='http://www.crystallography.net', **kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.CifEntry
Represents an entry from COD.
-
__init__
(uri, db_name='Crystallography Open Database', db_uri='http://www.crystallography.net', **kwargs)[source]¶ Creates an instance of
aiida.tools.dbimporters.plugins.cod.CodEntry
, related to the supplied URI.
-
__module__
= 'aiida.tools.dbimporters.plugins.cod'¶
-
_license
= 'CC0'¶
-
-
class
aiida.tools.dbimporters.plugins.cod.
CodSearchResults
(results)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbSearchResults
Results of the search, performed on COD.
-
__module__
= 'aiida.tools.dbimporters.plugins.cod'¶
-
_base_url
= 'http://www.crystallography.net/cod/'¶
-
-
exception
aiida.tools.dbimporters.plugins.icsd.
CifFileErrorExp
[source]¶ Bases:
aiida.tools.dbimporters.plugins.icsd.IcsdImporterExp
Raised when the author loop is missing in a CIF file.
-
__module__
= 'aiida.tools.dbimporters.plugins.icsd'¶
-
-
class
aiida.tools.dbimporters.plugins.icsd.
IcsdDbImporter
(**kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbImporter
Importer for the Inorganic Crystal Structure Database, short ICSD, provided by FIZ Karlsruhe. It allows to run queries and analyse all the results. See the DbImporter documentation and tutorial page for more information.
Parameters: - server –
Server URL, the web page of the database. It is required in order to have access to the full database. I t should contain both the protocol and the domain name and end with a slash, as in:
server = "http://ICSDSERVER.com/"
- urladd – part of URL which is added between query and and the server URL
(default:
index.php?
). only needed for web page query - querydb – boolean, decides whether the mysql database is queried (default: True). If False, the query results are obtained through the web page query, which is restricted to a maximum of 1000 results per query.
- dl_db – icsd comes with a full (default:
icsd
) and a demo database (icsdd
). This parameter allows the user to switch to the demo database for testing purposes, if the access rights to the full database are not granted. - host –
MySQL database host. If the MySQL database is hosted on a different machine, use “127.0.0.1” as host, and open a SSH tunnel to the host using:
ssh -L 3306:localhost:3306 username@hostname.com
or (if e.g. you get an URLError with Errno 111 (Connection refused) upon querying):
ssh -L 3306:localhost:3306 -L 8010:localhost:80 username@hostname.com
- user – mysql database username (default: dba)
- passwd – mysql database password (default: sql)
- db – name of the database (default: icsd)
- port – Port to access the mysql database (default: 3306)
-
__module__
= 'aiida.tools.dbimporters.plugins.icsd'¶
-
_composition_clause
(key, alias, values)[source]¶ Return SQL query predicate for querying elements in formula fields.
-
_crystal_system_clause
(key, alias, values)[source]¶ Return SQL query predicate for querying crystal_system.
-
_double_clause
(key, alias, values, precision)[source]¶ Return SQL query predicate for querying double-valued fields.
-
_formula_clause
(key, alias, values)[source]¶ Return SQL query predicate for querying formula fields.
-
_int_clause
(key, alias, values)[source]¶ Return SQL query predicate for querying integer fields :param key: Database keyword :param alias: Query parameter name :param values: Corresponding values from query :return: SQL query predicate
-
_length_clause
(key, alias, values)[source]¶ Return SQL query predicate for querying lattice vector lengths.
-
_parse_all
(v)[source]¶ Convert numbers, strings, lists into strings. :param k: query parameter :param v: corresponding values :return retval: string
-
_parse_mineral
(v)[source]¶ Convert mineral_name and chemical_name into right format. :param k: query parameter :param v: corresponding values :return retval: string
-
_parse_number
(v)[source]¶ Convert int into string. :param k: query parameter :param v: corresponding values :return retval: string
-
_parse_system
(v)[source]¶ Return crystal system in the right format. :param k: query parameter :param v: corresponding values :return retval: string
-
_parse_volume
(v)[source]¶ Convert volume, cell parameter and angle queries into right format. :param k: query parameter :param v: corresponding values :return retval: string
-
_query_sql_db
(**kwargs)[source]¶ Perform a query on Icsd mysql database using
keyword = value
pairs, specified inkwargs
. Returns an instance of IcsdSearchResults. :param kwargs: A list ofkeyword = [values]
pairs :return: IcsdSearchResults
-
_queryweb
(**kwargs)[source]¶ Perform a query on the Icsd web database using
keyword = value
pairs, specified inkwargs
. Returns an instance of IcsdSearchResults. :note: Web search has a maximum result number fixed at 1000. :param kwargs: A list ofkeyword = [values]
pairs :return: IcsdSearchResults
-
_str_exact_clause
(key, alias, values)[source]¶ Return SQL query predicate for querying string fields.
-
_str_fuzzy_clause
(key, alias, values)[source]¶ Return SQL query predicate for fuzzy querying of string fields.
-
_temperature_clause
(key, alias, values)[source]¶ Return SQL query predicate for querying temperature.
-
_volume_clause
(key, alias, values)[source]¶ Return SQL query predicate for querying unit cell volume.
-
angle_precision
= 0.001¶
-
density_precision
= 0.001¶
-
keywords
= {'a': ('volume', <function _parse_volume at 0x7f8420295d70>), 'alpha': ('volume', <function _parse_volume at 0x7f8420295d70>), 'authors': ('authors', <function _parse_all at 0x7f8420295b90>), 'b': ('volume', <function _parse_volume at 0x7f8420295d70>), 'beta': ('volume', <function _parse_volume at 0x7f8420295d70>), 'c': ('volume', <function _parse_volume at 0x7f8420295d70>), 'chemical_name': ('mineral', <function _parse_mineral at 0x7f8420295938>), 'crystal_system': ('system', <function _parse_system at 0x7f84202957d0>), 'element': ('elements', <function _parse_all at 0x7f8420295b90>), 'formula': ('formula', <function _parse_all at 0x7f8420295b90>), 'gamma': ('volume', <function _parse_volume at 0x7f8420295d70>), 'id': ('authors', <function _parse_all at 0x7f8420295b90>), 'journal': ('journal', <function _parse_all at 0x7f8420295b90>), 'mineral_name': ('mineral', <function _parse_mineral at 0x7f8420295938>), 'number_of_elements': ('elementc', <function _parse_all at 0x7f8420295b90>), 'spacegroup': ('spaceg', <function _parse_all at 0x7f8420295b90>), 'title': ('title', <function _parse_all at 0x7f8420295b90>), 'volume': ('volume', <function _parse_volume at 0x7f8420295d70>), 'year': ('year', <function _parse_all at 0x7f8420295b90>)}¶
-
keywords_db
= {'a': ['A_LEN', <function _length_clause at 0x7f841fafaf50>], 'alpha': ['ALPHA', <function _angle_clause at 0x7f841fafa500>], 'authors': ['AUTHORS_TEXT', <function _str_fuzzy_clause at 0x7f8420665398>], 'b': ['B_LEN', <function _length_clause at 0x7f841fafaf50>], 'beta': ['BETA', <function _angle_clause at 0x7f841fafa500>], 'c': ['C_LEN', <function _length_clause at 0x7f841fafaf50>], 'chemical_name': ['CHEM_NAME', <function _str_fuzzy_clause at 0x7f8420665398>], 'crystal_system': ['CRYST_SYS_CODE', <function _crystal_system_clause at 0x7f841f536f50>], 'density': ['DENSITY_CALC', <function _density_clause at 0x7f841fafab90>], 'element': ['SUM_FORM;', <function _composition_clause at 0x7f8420665f50>], 'formula': ['SUM_FORM', <function _formula_clause at 0x7f8420665d70>], 'gamma': ['GAMMA', <function _angle_clause at 0x7f841fafa500>], 'id': ['COLL_CODE', <function _int_clause at 0x7f8420665c80>], 'journal': ['journal', <function _str_fuzzy_clause at 0x7f8420665398>], 'measurement_temp': ['TEMPERATURE', <function _temperature_clause at 0x7f841fafa230>], 'molar_mass': ['MOL_MASS', <function _density_clause at 0x7f841fafab90>], 'number_of_elements': ['EL_COUNT', <function _int_clause at 0x7f8420665c80>], 'pdf_num': ['PDF_NUM', <function _str_exact_clause at 0x7f8420665b90>], 'spacegroup': ['SGR', <function _str_exact_clause at 0x7f8420665b90>], 'title': ['AU_TITLE', <function _str_fuzzy_clause at 0x7f8420665398>], 'volume': ['C_VOL', <function _volume_clause at 0x7f841fafaed8>], 'wyckoff': ['WYCK', <function _str_exact_clause at 0x7f8420665b90>], 'year': ['MPY', <function _int_clause at 0x7f8420665c80>], 'z': ['Z', <function _int_clause at 0x7f8420665c80>]}¶
-
length_precision
= 0.001¶
-
pressure_precision
= 1¶
-
query
(**kwargs)[source]¶ Depending on the db_parameters, the mysql database or the web page are queried. Valid parameters are found using IcsdDbImporter.get_supported_keywords().
Parameters: kwargs – A list of ‘’keyword = [values]’’ pairs.
-
setup_db
(**kwargs)[source]¶ Change the database connection details. At least the host server has to be defined.
Parameters: kwargs – db_parameters for the mysql database connection (host, user, passwd, db, port)
-
temperature_precision
= 0.001¶
-
volume_precision
= 0.001¶
- server –
-
class
aiida.tools.dbimporters.plugins.icsd.
IcsdEntry
(uri, **kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.CifEntry
Represent an entry from Icsd.
Note: - Before July 2nd 2015, source[‘id’] contained icsd.IDNUM (internal icsd id number) and source[‘extras’][‘cif_nr’] the cif number (icsd.COLL_CODE).
- After July 2nd 2015, source[‘id’] has been replaced by the cif number and source[‘extras’][‘idnum’] is icsd.IDNUM .
-
__module__
= 'aiida.tools.dbimporters.plugins.icsd'¶
-
_license
= 'ICSD'¶
-
cif
¶ Returns: cif file of Icsd entry.
-
get_cif_node
()[source]¶ Create a CIF node, that can be used in AiiDA workflow.
Returns: aiida.orm.data.cif.CifData
object
-
exception
aiida.tools.dbimporters.plugins.icsd.
IcsdImporterExp
[source]¶ Bases:
exceptions.Exception
-
__module__
= 'aiida.tools.dbimporters.plugins.icsd'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
-
class
aiida.tools.dbimporters.plugins.icsd.
IcsdSearchResults
(query, db_parameters)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbSearchResults
Result manager for the query performed on ICSD.
Parameters: - query – mysql query or webpage query
- db_parameters – database parameter setup during the initialisation of the IcsdDbImporter.
-
__init__
(query, db_parameters)[source]¶ x.__init__(…) initializes x; see help(type(x)) for signature
-
__module__
= 'aiida.tools.dbimporters.plugins.icsd'¶
-
cif_url
= '/index.php?format=cif&action=Export&id%5B%5D={}'¶
-
db_name
= 'Icsd'¶
-
exception
aiida.tools.dbimporters.plugins.icsd.
NoResultsWebExp
[source]¶ Bases:
aiida.tools.dbimporters.plugins.icsd.IcsdImporterExp
Raised when a webpage query returns no results.
-
__module__
= 'aiida.tools.dbimporters.plugins.icsd'¶
-
-
aiida.tools.dbimporters.plugins.icsd.
correct_cif
(cif)[source]¶ Correct the format of the CIF files. At the moment, it only fixes missing quotes in the authors field (
ase.read.io
only works if the author names are quoted, if not an AssertionError is raised).Parameters: cif – A string containing the content of the CIF file. Returns: a string containing the corrected CIF file.
-
class
aiida.tools.dbimporters.plugins.mpod.
MpodDbImporter
(**kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbImporter
Database importer for Material Properties Open Database.
-
__module__
= 'aiida.tools.dbimporters.plugins.mpod'¶
-
_keywords
= {'authors': ['publ_author', <function _str_clause at 0x7f84206a8d70>], 'cod_id': ['cod_code', <function _str_clause at 0x7f84206a8d70>], 'element': ['element', None], 'formula': ['formula', <function _str_clause at 0x7f84206a8d70>], 'phase_name': ['phase_name', <function _str_clause at 0x7f84206a8d70>]}¶
-
get_supported_keywords
()[source]¶ Returns the list of all supported query keywords.
Returns: list of strings
-
query
(**kwargs)[source]¶ Performs a query on the MPOD database using
keyword = value
pairs, specified inkwargs
.Returns: an instance of aiida.tools.dbimporters.plugins.mpod.MpodSearchResults
.
-
-
class
aiida.tools.dbimporters.plugins.mpod.
MpodEntry
(uri, **kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.CifEntry
Represents an entry from MPOD.
-
__init__
(uri, **kwargs)[source]¶ Creates an instance of
aiida.tools.dbimporters.plugins.mpod.MpodEntry
, related to the supplied URI.
-
__module__
= 'aiida.tools.dbimporters.plugins.mpod'¶
-
-
class
aiida.tools.dbimporters.plugins.mpod.
MpodSearchResults
(results)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbSearchResults
Results of the search, performed on MPOD.
-
__module__
= 'aiida.tools.dbimporters.plugins.mpod'¶
-
_base_url
= 'http://mpod.cimav.edu.mx/datafiles/'¶
-
-
class
aiida.tools.dbimporters.plugins.nninc.
NnincDbImporter
(**kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbImporter
Database importer for NNIN/C Pseudopotential Virtual Vault.
-
__module__
= 'aiida.tools.dbimporters.plugins.nninc'¶
-
_keywords
= {'element': ['element', None], 'pseudopotential_class': ['frmspclass', <function _str_clause at 0x7f84206a8a28>], 'xc_approximation': ['frmxcprox', <function _str_clause at 0x7f84206a8a28>], 'xc_type': ['frmxctype', <function _str_clause at 0x7f84206a8a28>]}¶
-
get_supported_keywords
()[source]¶ Returns the list of all supported query keywords.
Returns: list of strings
-
query
(**kwargs)[source]¶ Performs a query on the NNIN/C Pseudopotential Virtual Vault using
keyword = value
pairs, specified inkwargs
.Returns: an instance of aiida.tools.dbimporters.plugins.nninc.NnincSearchResults
.
-
-
class
aiida.tools.dbimporters.plugins.nninc.
NnincEntry
(uri, **kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.UpfEntry
Represents an entry from NNIN/C Pseudopotential Virtual Vault.
-
__init__
(uri, **kwargs)[source]¶ Creates an instance of
aiida.tools.dbimporters.plugins.nninc.NnincEntry
, related to the supplied URI.
-
__module__
= 'aiida.tools.dbimporters.plugins.nninc'¶
-
-
class
aiida.tools.dbimporters.plugins.nninc.
NnincSearchResults
(results)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbSearchResults
Results of the search, performed on NNIN/C Pseudopotential Virtual Vault.
-
__module__
= 'aiida.tools.dbimporters.plugins.nninc'¶
-
_base_url
= 'http://nninc.cnf.cornell.edu/psp_files/'¶
-
-
class
aiida.tools.dbimporters.plugins.oqmd.
OqmdDbImporter
(**kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbImporter
Database importer for Open Quantum Materials Database.
-
__module__
= 'aiida.tools.dbimporters.plugins.oqmd'¶
-
_keywords
= {'element': ['element', None]}¶
-
get_supported_keywords
()[source]¶ Returns the list of all supported query keywords.
Returns: list of strings
-
query
(**kwargs)[source]¶ Performs a query on the OQMD database using
keyword = value
pairs, specified inkwargs
.Returns: an instance of aiida.tools.dbimporters.plugins.oqmd.OqmdSearchResults
.
-
-
class
aiida.tools.dbimporters.plugins.oqmd.
OqmdEntry
(uri, **kwargs)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.CifEntry
Represents an entry from OQMD.
-
__init__
(uri, **kwargs)[source]¶ Creates an instance of
aiida.tools.dbimporters.plugins.oqmd.OqmdEntry
, related to the supplied URI.
-
__module__
= 'aiida.tools.dbimporters.plugins.oqmd'¶
-
-
class
aiida.tools.dbimporters.plugins.oqmd.
OqmdSearchResults
(results)[source]¶ Bases:
aiida.tools.dbimporters.baseclasses.DbSearchResults
Results of the search, performed on OQMD.
-
__module__
= 'aiida.tools.dbimporters.plugins.oqmd'¶
-
_base_url
= 'http://oqmd.org/materials/export/conventional/cif/'¶
-
-
class
aiida.tools.dbimporters.plugins.pcod.
PcodDbImporter
(**kwargs)[source]¶ Bases:
aiida.tools.dbimporters.plugins.cod.CodDbImporter
Database importer for Predicted Crystallography Open Database.
-
__module__
= 'aiida.tools.dbimporters.plugins.pcod'¶
-
_composition_clause
(*args, **kwargs)[source]¶ Returns SQL query predicate for querying elements in formula fields.
-
_keywords
= {'a': ['a', <function _length_clause at 0x7f841efea140>], 'alpha': ['alpha', <function _angle_clause at 0x7f841f711398>], 'b': ['b', <function _length_clause at 0x7f841efea140>], 'beta': ['beta', <function _angle_clause at 0x7f841f711398>], 'c': ['c', <function _length_clause at 0x7f841efea140>], 'element': ['element', <function _composition_clause at 0x7f841efeab18>], 'formula': ['formula', <function _formula_clause at 0x7f841efea2a8>], 'gamma': ['gamma', <function _angle_clause at 0x7f841f711398>], 'id': ['file', <function _int_clause at 0x7f841efeaf50>], 'number_of_elements': ['nel', <function _int_clause at 0x7f841efeaf50>], 'spacegroup': ['sg', <function _str_exact_clause at 0x7f841efea938>], 'text': ['text', <function _str_fuzzy_clause at 0x7f841f711500>], 'volume': ['vol', <function _volume_clause at 0x7f841efeac80>]}¶
-
_length_clause
(*args, **kwargs)[source]¶ Returns SQL query predicate for querying lattice vector lengths.
-
_str_fuzzy_clause
(*args, **kwargs)[source]¶ Returns SQL query predicate for fuzzy querying of string fields.
-
query
(**kwargs)[source]¶ Performs a query on the PCOD database using
keyword = value
pairs, specified inkwargs
.Returns: an instance of aiida.tools.dbimporters.plugins.pcod.PcodSearchResults
.
-
-
class
aiida.tools.dbimporters.plugins.pcod.
PcodEntry
(uri, db_name='Predicted Crystallography Open Database', db_uri='http://www.crystallography.net/pcod', **kwargs)[source]¶ Bases:
aiida.tools.dbimporters.plugins.cod.CodEntry
Represents an entry from PCOD.
-
__init__
(uri, db_name='Predicted Crystallography Open Database', db_uri='http://www.crystallography.net/pcod', **kwargs)[source]¶ Creates an instance of
aiida.tools.dbimporters.plugins.pcod.PcodEntry
, related to the supplied URI.
-
__module__
= 'aiida.tools.dbimporters.plugins.pcod'¶
-
_license
= 'CC0'¶
-
-
class
aiida.tools.dbimporters.plugins.pcod.
PcodSearchResults
(results)[source]¶ Bases:
aiida.tools.dbimporters.plugins.cod.CodSearchResults
Results of the search, performed on PCOD.
-
__module__
= 'aiida.tools.dbimporters.plugins.pcod'¶
-
_base_url
= 'http://www.crystallography.net/pcod/cif/'¶
-
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class
aiida.tools.dbimporters.plugins.tcod.
TcodDbImporter
(**kwargs)[source]¶ Bases:
aiida.tools.dbimporters.plugins.cod.CodDbImporter
Database importer for Theoretical Crystallography Open Database.
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__module__
= 'aiida.tools.dbimporters.plugins.tcod'¶
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query
(**kwargs)[source]¶ Performs a query on the TCOD database using
keyword = value
pairs, specified inkwargs
.Returns: an instance of aiida.tools.dbimporters.plugins.tcod.TcodSearchResults
.
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class
aiida.tools.dbimporters.plugins.tcod.
TcodEntry
(uri, db_name='Theoretical Crystallography Open Database', db_uri='http://www.crystallography.net/tcod', **kwargs)[source]¶ Bases:
aiida.tools.dbimporters.plugins.cod.CodEntry
Represents an entry from TCOD.
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__init__
(uri, db_name='Theoretical Crystallography Open Database', db_uri='http://www.crystallography.net/tcod', **kwargs)[source]¶ Creates an instance of
aiida.tools.dbimporters.plugins.tcod.TcodEntry
, related to the supplied URI.
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__module__
= 'aiida.tools.dbimporters.plugins.tcod'¶
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_license
= 'CC0'¶
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class
aiida.tools.dbimporters.plugins.tcod.
TcodSearchResults
(results)[source]¶ Bases:
aiida.tools.dbimporters.plugins.cod.CodSearchResults
Results of the search, performed on TCOD.
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__module__
= 'aiida.tools.dbimporters.plugins.tcod'¶
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_base_url
= 'http://www.crystallography.net/tcod/'¶
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Tests for IcsdDbImporter