def __init__(self, **kwargs):
allowed_keys = {
'name': (str, str(), 'Name of directory'),
'program_keys': (dict, dict(), 'Dictionary of program keywords'),
'structure': (Structure, None, 'Pymatgen Structure object')
}
BaseError.__init__(self, allowed_keys, **kwargs)
def __init__(self, **kwargs):
allowed_keys = {
'name' : (str, str(), 'Name of directory'),
'program_keys': (dict, dict(), 'Dictionary of program keywords'),
'structure': (Structure, None, 'Pymatgen Structure object')
}
BaseError.__init__(self, allowed_keys, **kwargs)
def __init__(self, **kwargs):
allowed_keys = {
"name": (str, str(), "Name of directory"),
"program_keys": (dict, dict(), "Dictionary of program keywords"),
"structure": (Structure, None, "Pymatgen Structure object"),
}
BaseError.__init__(self, allowed_keys, **kwargs)
def get_error_handlers(self):
"""Get error handler list from custodian.vasp.handlers.
This is a dynamic function because the Materials Project is
continuously adding new handlers.
"""
handlerdict = BaseError.get_error_handlers(self)
handlerlist = inspect.getmembers(handlers)
for htry in handlerlist:
hname = htry[0]
if 'ErrorHandler' in hname and not (hname == 'ErrorHandler'):
handlerdict[hname] = htry[1]
return handlerdict
def get_error_handlers(self):
"""Get error handler list from custodian.vasp.handlers.
This is a dynamic function because the Materials Project is
continuously adding new handlers.
"""
handlerdict = BaseError.get_error_handlers(self)
handlerlist = inspect.getmembers(handlers)
for htry in handlerlist:
hname = htry[0]
if 'ErrorHandler' in hname and not (hname == 'ErrorHandler'):
handlerdict[hname]=htry[1]
return handlerdict
def clean_up_directory(self):
"""Clean up directory."""
return BaseError.clean_up_directory(self, ["OUTCAR", "OSZICAR"])
def clean_up_directory(self):
"""Clean up directory."""
return BaseError.clean_up_directory(self, ["OUTCAR","OSZICAR"])
