Source code for pymatgen.util.io_utils

# coding: utf-8
# Copyright (c) Pymatgen Development Team.
# Distributed under the terms of the MIT License.

This module provides utility classes for io operations.

import re
import errno
import os
import tempfile
import codecs
from import zopen

__author__ = "Shyue Ping Ong, Rickard Armiento, Anubhav Jain, G Matteo, Ioannis Petousis"
__copyright__ = "Copyright 2011, The Materials Project"
__version__ = "1.0"
__maintainer__ = "Shyue Ping Ong"
__email__ = ""
__status__ = "Production"
__date__ = "Sep 23, 2011"

[docs]def ask_yesno(question, default=True): """ Args: question (): default (): Returns: """ try: answer = input(question) return answer.lower().strip() in ["y", "yes"] except EOFError: return default
[docs]def clean_lines(string_list, remove_empty_lines=True): """ Strips whitespace, carriage returns and empty lines from a list of strings. Args: string_list: List of strings remove_empty_lines: Set to True to skip lines which are empty after stripping. Returns: List of clean strings with no whitespaces. """ for s in string_list: clean_s = s if '#' in s: ind = s.index('#') clean_s = s[:ind] clean_s = clean_s.strip() if (not remove_empty_lines) or clean_s != '': yield clean_s
[docs]def micro_pyawk(filename, search, results=None, debug=None, postdebug=None): """ Small awk-mimicking search routine. 'file' is file to search through. 'search' is the "search program", a list of lists/tuples with 3 elements; i.e. [[regex,test,run],[regex,test,run],...] 'results' is a an object that your search program will have access to for storing results. Here regex is either as a Regex object, or a string that we compile into a Regex. test and run are callable objects. This function goes through each line in filename, and if regex matches that line *and* test(results,line)==True (or test is None) we execute run(results,match),where match is the match object from running Regex.match. The default results is an empty dictionary. Passing a results object let you interact with it in run() and test(). Hence, in many occasions it is thus clever to use results=self. Author: Rickard Armiento, Ioannis Petousis Returns: results """ if results is None: results = {} # Compile strings into regexs for entry in search: entry[0] = re.compile(entry[0]) with zopen(filename, "rt") as f: for line in f: for entry in search: match =[0], line) if match and (entry[1] is None or entry[1](results, line)): if debug is not None: debug(results, match) entry[2](results, match) if postdebug is not None: postdebug(results, match) return results
umask = os.umask(0) os.umask(umask) def _maketemp(name, createmode=None): """ Create a temporary file with the filename similar the given ``name``. The permission bits are copied from the original file or ``createmode``. Returns: the name of the temporary file. """ d, fn = os.path.split(name) fd, tempname = tempfile.mkstemp(prefix=".%s-" % fn, dir=d) os.close(fd) # Temporary files are created with mode 0600, which is usually not # what we want. If the original file already exists, just copy its mode. # Otherwise, manually obey umask. try: st_mode = os.lstat(name).st_mode & 0o777 except OSError as err: if err.errno != errno.ENOENT: raise st_mode = createmode if st_mode is None: st_mode = ~umask st_mode &= 0o666 os.chmod(tempname, st_mode) return tempname
[docs]class AtomicFile: """ This is a straight port of Alexander Saltanov's atomicfile package. Writeable file object that atomically writes a file. All writes will go to a temporary file. Call ``close()`` when you are done writing, and AtomicFile will rename the temporary copy to the original name, making the changes visible. If the object is destroyed without being closed, all your writes are discarded. If an ``encoding`` argument is specified, will be called to open the file in the wanted encoding. """ def __init__(self, name, mode="w+b", createmode=None, encoding=None): """ Args: name (): mode (): createmode (): encoding (): """ self.__name = name # permanent name self._tempname = _maketemp(name, createmode=createmode) if encoding: self._fp =, mode, encoding) else: self._fp = open(self._tempname, mode) # delegated methods self.write = self._fp.write self.fileno = self._fp.fileno def __enter__(self): return self def __exit__(self, exc_type, exc_value, exc_tb): if exc_type: return self.close()
[docs] def close(self): """ Close the file. """ if not self._fp.closed: self._fp.close() # This to avoid: # FileExistsError: [WinError 183] Cannot create a file when that file already exists: # On Windows, if dst already exists, OSError will be raised even if it is a file; # there may be no way to implement an atomic rename when dst names an existing file. if == 'nt' and os.path.exists(self.__name): os.remove(self.__name) os.rename(self._tempname, self.__name)
[docs] def discard(self): """ Discard the file. """ if not self._fp.closed: try: os.unlink(self._tempname) except OSError: pass self._fp.close()
def __del__(self): if getattr(self, "_fp", None): # constructor actually did something self.discard()