# -*- coding: utf-8 -*-
"""
Implement subclass for a single file in the permanent repository
files = [one_single_file]
jsons = {}
methods:
* get_content
* get_path
* get_aiidaurl (?)
* get_md5
* ...
To discuss: do we also need a simple directory class for full directories
in the perm repo?
"""
import os
from aiida.orm import Data
__copyright__ = u"Copyright (c), 2015, ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (NCCR MARVEL)), Switzerland and ROBERT BOSCH LLC, USA. All rights reserved."
__license__ = "MIT license, see LICENSE.txt file"
__version__ = "0.4.1"
__contributors__ = "Andrea Cepellotti, Giovanni Pizzi"
[docs]class SinglefileData(Data):
"""
Pass as input a file parameter with the (absolute) path of a file
on the hard drive.
It will get copied inside the node.
Internally must have a single file, and stores as internal attribute
the filename in the 'filename' attribute.
"""
@property
def filename(self):
"""
Returns the name of the file stored
"""
return self.get_attr('filename')
[docs] def get_file_abs_path(self):
"""
Return the absolute path to the file in the repository
"""
return os.path.join(self._get_folder_pathsubfolder.abspath,self.filename)
[docs] def set_file(self, filename):
"""
Add a file to the singlefiledata
:param filename: absolute path to the file
"""
self.add_path(filename)
[docs] def del_file(self, filename):
"""
Remove a file from SingleFileData
:param filename: name of the file stored in the DB
"""
self.remove_path(filename)
[docs] def add_path(self,src_abs,dst_filename=None):
"""
Add a single file
"""
old_file_list = self.get_folder_list()
if not os.path.isabs(src_abs):
raise ValueError("Pass an absolute path for src_abs")
if not os.path.isfile(src_abs):
raise ValueError("src_abs must exist and must be a single file")
if dst_filename is None:
final_filename = os.path.split(src_abs)[1]
else:
final_filename = dst_filename
try:
# I remove the 'filename' from the list of old files:
# if I am overwriting the file, I don't want to delete if afterwards
old_file_list.remove(dst_filename)
except ValueError:
# filename is not there: no problem, it simply means I don't have
# to delete it
pass
super(SinglefileData,self).add_path(src_abs,final_filename)
for delete_me in old_file_list:
self.remove_path(delete_me)
self._set_attr('filename', final_filename)
def remove_path(self,filename):
if filename == self.get_attr('filename',None):
try:
self._del_attr('filename')
except AttributeError:
## There was not file set
pass
def _validate(self):
from aiida.common.exceptions import ValidationError
super(SinglefileData,self)._validate()
try:
filename = self.filename
except AttributeError:
raise ValidationError("attribute 'filename' not set.")
if [filename] != self.get_folder_list():
raise ValidationError("The list of files in the folder does not "
"match the 'filename' attribute. "
"_filename='{}', content: {}".format(
filename, self.get_folder_list()))