def _get_io_function(mode, io):
"""Returns io function with specified mode.
This will be determined on the fly based on file name extension and
available ipi/utils/io/backends/io_*.py backends.
Args:
mode: Which format has the file? e.g. "pdb", "xml" or "xyz"
io: One of "print_path", "print", "read" or "iter"
"""
try:
mode = mode[mode.find(".") + 1:]
if mode in mode_map:
mode = mode_map[mode]
module = importlib.import_module("ipi.utils.io.backends.io_%s" % mode)
except ImportError:
print "Error: mode %s is not supported." % mode
sys.exit()
try:
func = getattr(module, io_map[io] % mode)
except KeyError:
print "Error: io %s is not supported with mode %s." % (io, mode)
sys.exit()
return func
def _get_io_function(mode, io):
"""Returns io function with specified mode.
This will be determined on the fly based on file name extension and
available ipi/utils/io/backends/io_*.py backends.
Args:
mode: Which format has the file? e.g. "pdb", "xml" or "xyz"
io: One of "print_path", "print", "read" or "iter"
"""
try:
mode = mode[mode.find(".")+1:]
if mode in mode_map:
mode = mode_map[mode]
module = importlib.import_module("ipi.utils.io.backends.io_%s" % mode)
except ImportError:
print "Error: mode %s is not supported." % mode
sys.exit()
try:
func = getattr(module, io_map[io] % mode)
except KeyError:
print "Error: io %s is not supported with mode %s." % (io, mode)
sys.exit()
return func
def read_file(mode, filedesc, **kwargs):
"""Reads one frame from an open `mode`-style file.
Args:
filedesc: An open readable file object from a `mode` formatted file.
All other args are passed directly to the responsible io function.
Returns:
A dictionary with 'atoms', 'cell' and 'comment'.
"""
return importlib.import_module("ipi.utils.io.backends.io_units").\
process_units(*_get_io_function(mode, "read")(filedesc=filedesc, **kwargs),
output=kwargs["output"] if "output" in kwargs.keys() else "objects")