def _try_as_cif(self):
# XXX hack to avoid choking on CCP4 maps and images
file_ext = os.path.splitext(self.file_name)[1]
assert (not file_ext in [".ccp4", ".img", ".osc", ".mccd"])
import iotbx.cif
from iotbx.reflection_file_reader import any_reflection_file
cif_file = any_reflection_file(str(self.file_name))
if cif_file.file_type() is not None:
self._file_object = cif_file
self._file_type = "hkl"
else:
from iotbx.pdb.mmcif import cif_input
from iotbx.pdb.hierarchy import input_hierarchy_pair
try:
cif_in = cif_input(file_name=self.file_name)
self._file_object = input_hierarchy_pair(
cif_in, cif_in.hierarchy)
self._file_type = "pdb"
except Exception as e:
if (str(e).startswith("Space group is incompatible")
or str(e).startswith("The space group")):
raise
else:
self._file_object = iotbx.cif.reader(
file_path=self.file_name, strict=False)
self._file_type = "cif"
def _try_as_cif (self) :
# XXX hack to avoid choking on CCP4 maps and images
file_ext = os.path.splitext(self.file_name)[1]
assert (not file_ext in [".ccp4", ".img", ".osc", ".mccd"])
import iotbx.cif
from iotbx.reflection_file_reader import any_reflection_file
cif_file = any_reflection_file(str(self.file_name))
if cif_file.file_type() is not None:
self._file_object = cif_file
self._file_type = "hkl"
else:
from iotbx.pdb.mmcif import cif_input
from iotbx.pdb.hierarchy import input_hierarchy_pair
try:
cif_in = cif_input(file_name=self.file_name)
self._file_object = input_hierarchy_pair(cif_in, cif_in.hierarchy)
self._file_type = "pdb"
except Exception, e:
self._file_object = iotbx.cif.reader(file_path=self.file_name,
strict=False)
self._file_type = "cif"