def read(self, filename, format='auto'):
"""Load structure from a file, any original data become lost.
filename -- file to be loaded
format -- all structure formats are defined in Parsers submodule,
when format == 'auto' all Parsers are tried one by one
Return instance of data Parser used to process file. This
can be inspected for information related to particular format.
"""
import diffpy.Structure
import diffpy.Structure.Parsers
getParser = diffpy.Structure.Parsers.getParser
p = getParser(format)
new_structure = p.parseFile(filename)
# reinitialize data after successful parsing
# avoid calling __init__ from a derived class
Structure.__init__(self)
if new_structure is not None:
self.__dict__.update(new_structure.__dict__)
self[:] = new_structure
if not self.title:
import os.path
tailname = os.path.basename(filename)
tailbase = os.path.splitext(tailname)[0]
self.title = tailbase
return p
def read(self, filename, format='auto'):
"""Load structure from a file, any original data become lost.
filename -- file to be loaded
format -- all structure formats are defined in Parsers submodule,
when format == 'auto' all Parsers are tried one by one
Return instance of data Parser used to process file. This
can be inspected for information related to particular format.
"""
import diffpy.Structure
import diffpy.Structure.Parsers
getParser = diffpy.Structure.Parsers.getParser
p = getParser(format)
new_structure = p.parseFile(filename)
# reinitialize data after successful parsing
# avoid calling __init__ from a derived class
Structure.__init__(self)
if new_structure is not None:
self.__dict__.update(new_structure.__dict__)
self[:] = new_structure
if not self.title:
import os.path
tailname = os.path.basename(filename)
tailbase = os.path.splitext(tailname)[0]
self.title = tailbase
return p
def readStr(self, s, format='auto'):
"""Load structure from a string, any original data become lost.
s -- string with structure definition
format -- all structure formats are defined in Parsers submodule,
when format == 'auto' all Parsers are tried one by one
Return instance of data Parser used to process input string. This
can be inspected for information related to particular format.
"""
from diffpy.Structure.Parsers import getParser
p = getParser(format)
new_structure = p.parse(s)
# reinitialize data after successful parsing
# avoid calling __init__ from a derived class
Structure.__init__(self)
if new_structure is not None:
self.__dict__.update(new_structure.__dict__)
self[:] = new_structure
return p
def readStr(self, s, format='auto'):
"""Load structure from a string, any original data become lost.
s -- string with structure definition
format -- all structure formats are defined in Parsers submodule,
when format == 'auto' all Parsers are tried one by one
Return instance of data Parser used to process input string. This
can be inspected for information related to particular format.
"""
from diffpy.Structure.Parsers import getParser
p = getParser(format)
new_structure = p.parse(s)
# reinitialize data after successful parsing
# avoid calling __init__ from a derived class
Structure.__init__(self)
if new_structure is not None:
self.__dict__.update(new_structure.__dict__)
self[:] = new_structure
return p
