Merge pull request #50 from harripj/master

Fix loading CIF files on Windows

Author: sbillinge

CHANGELOG.md

@@ -8,12 +8,15 @@
 
 ### Changed
 
+- Bumped minimum `PyCifRW` version to `4.4.3`.
+
 ### Deprecated
 
 ### Removed
 
 ### Fixed
 
+- Handling of paths on Windows when using the `P_cif` parser.
 
 ## Version 3.0.1 – 2019-06-27
 

setup.py

@@ -91,7 +91,7 @@ def getversioncfg():
     zip_safe = False,
     install_requires = [
         'six',
-        'pycifrw>=4.2',
+        'pycifrw>=4.4.3',
     ],
     author = 'Simon J.L. Billinge group',
     author_email = 'sb2896@columbia.edu',

src/diffpy/structure/parsers/p_cif.py

@@ -281,8 +281,7 @@ def parseFile(self, filename):
         """
         self.ciffile = None
         self.filename = filename
-        fileurl = _quoteLocalPath(filename)
-        rv = self._parseCifDataSource(fileurl)
+        rv = self._parseCifDataSource(filename)
         # all good here
         return rv
 
@@ -705,35 +704,6 @@ def getSymOp(s):
     rv = SymOp(R, t)
     return rv
 
-
-def _quoteLocalPath(filename):
-    """Quote local paths to file URL-s.
-
-    CifFile reads files with urlopen, which fails for Windows paths or
-    for paths containing ":".
-
-    Parameters
-    ----------
-    filename : str
-        The path to be corrected.
-
-    Returns
-    -------
-    str
-        The fixed URL when it contains ":" or `filename`.
-        Return filename if it forms http or ftp URL.
-    """
-    rv = filename
-    cnvflag = False
-    if ':' in filename:
-        head = filename.split(':', 1)[0].lower()
-        cnvflag = head.isalpha() and head not in ('http', 'https', 'ftp')
-    if cnvflag:
-        from six.moves.urllib.request import pathname2url
-        rv = pathname2url(filename)
-    return rv
-
-
 def getParser(eps=None):
     """Return new parser object for CIF structure format.
 

src/diffpy/structure/tests/testp_cif.py

@@ -22,7 +22,6 @@
 
 from diffpy.structure.tests.testutils import datafile
 from diffpy.structure.parsers.p_cif import P_cif, leading_float, getSymOp
-from diffpy.structure.parsers.p_cif import _quoteLocalPath
 from diffpy.structure.parsers import getParser
 from diffpy.structure import Structure
 from diffpy.structure import StructureFormatError
@@ -61,18 +60,6 @@ def test_getSymOp(self):
         self.assertEqual(str(op1_std), str(op1))
         return
 
-
-    def test__quoteLocalPath(self):
-        "check _quoteLocalPath()"
-        from six.moves.urllib.request import pathname2url as p2u
-        self.assertEqual('/a/b/c.cif', _quoteLocalPath('/a/b/c.cif'))
-        self.assertEqual(p2u('c:\\a.cif'), _quoteLocalPath('c:\\a.cif'))
-        self.assertEqual(p2u('c:/a.cif'), _quoteLocalPath('c:/a.cif'))
-        self.assertEqual('/x:y/c.cif', _quoteLocalPath('/x:y/c.cif'))
-        self.assertEqual('http::cif.org/a.cif',
-                         _quoteLocalPath('http::cif.org/a.cif'))
-        return
-
 # End of class TestRoutines
 
 # ----------------------------------------------------------------------------