# -*- 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 # ########################################################################### """Data class that can be used to store a single file in its repository.""" import inspect import os import warnings import pathlib from aiida.common import exceptions from aiida.common.warnings import AiidaDeprecationWarning from .data import Data __all__ = ('SinglefileData',) [docs]class SinglefileData(Data): """Data class that can be used to store a single file in its repository.""" DEFAULT_FILENAME = 'file.txt' [docs] def __init__(self, file, filename=None, **kwargs): """Construct a new instance and set the contents to that of the file. :param file: an absolute filepath or filelike object whose contents to copy. Hint: Pass io.BytesIO(b"my string") to construct the SinglefileData directly from a string. :param filename: specify filename to use (defaults to name of provided file). """ # pylint: disable=redefined-builtin super().__init__(**kwargs) # 'filename' argument was added to 'set_file' after 1.0.0. if 'filename' not in inspect.getfullargspec(self.set_file)[0]: warnings.warn( # pylint: disable=no-member f"Method '{type(self).__name__}.set_file' does not support the 'filename' argument. " + 'This will raise an exception in AiiDA 2.0.', AiidaDeprecationWarning ) if file is not None: if filename is None: # don't assume that set_file has a 'filename' argument (remove guard in 2.0.0) self.set_file(file) else: self.set_file(file, filename=filename) @property def filename(self): """Return the name of the file stored. :return: the filename under which the file is stored in the repository """ return self.get_attribute('filename') [docs] def open(self, path=None, mode='r', key=None): """Return an open file handle to the content of this data node. .. deprecated:: 1.4.0 Keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead. .. deprecated:: 1.4.0 Starting from `v2.0.0` this will raise if not used in a context manager. :param path: the relative path of the object within the repository. :param key: optional key within the repository, by default is the `filename` set in the attributes :param mode: the mode with which to open the file handle (default: read mode) :return: a file handle """ from ..node import WarnWhenNotEntered if key is not None: if path is not None: raise ValueError('cannot specify both `path` and `key`.') warnings.warn( 'keyword `key` is deprecated and will be removed in `v2.0.0`. Use `path` instead.', AiidaDeprecationWarning ) # pylint: disable=no-member path = key if path is None: path = self.filename return WarnWhenNotEntered(self._repository.open(path, mode=mode), repr(self)) [docs] def get_content(self): """Return the content of the single file stored for this data node. :return: the content of the file as a string """ with self.open() as handle: return handle.read() [docs] def set_file(self, file, filename=None): """Store the content of the file in the node's repository, deleting any other existing objects. :param file: an absolute filepath or filelike object whose contents to copy Hint: Pass io.BytesIO(b"my string") to construct the file directly from a string. :param filename: specify filename to use (defaults to name of provided file). """ # pylint: disable=redefined-builtin if isinstance(file, (str, pathlib.Path)): is_filelike = False key = os.path.basename(file) if not os.path.isabs(file): raise ValueError(f'path `{file}` is not absolute') if not os.path.isfile(file): raise ValueError(f'path `{file}` does not correspond to an existing file') else: is_filelike = True try: key = os.path.basename(file.name) except AttributeError: key = self.DEFAULT_FILENAME key = filename or key existing_object_names = self.list_object_names() try: # Remove the 'key' from the list of currently existing objects such that it is not deleted after storing existing_object_names.remove(key) except ValueError: pass if is_filelike: self.put_object_from_filelike(file, key, mode='wb') else: self.put_object_from_file(file, key) # Delete any other existing objects (minus the current `key` which was already removed from the list) for existing_key in existing_object_names: self.delete_object(existing_key) self.set_attribute('filename', key) [docs] def _validate(self): """Ensure that there is one object stored in the repository, whose key matches value set for `filename` attr.""" super()._validate() try: filename = self.filename except AttributeError: raise exceptions.ValidationError('the `filename` attribute is not set.') objects = self.list_object_names() if [filename] != objects: raise exceptions.ValidationError( f'respository files {objects} do not match the `filename` attribute {filename}.' )