def read_cell_and_scale(system, cell_parameters):
from numpy import identity, array
if system.ibrav == 0:
return _read_free(system, cell_parameters)
elif system.ibrav == 1:
return identity(3, dtype='float64'), _get_scale(system)
elif system.ibrav == 2:
return 0.5 * array([[-1, 0, 1], [0, 1, 1], [-1, 1, 0]], dtype='float64').transpose(),\
_get_scale(system)
elif system.ibrav == 3:
return 0.5 * array([[1, 1, 1], [-1, 1, 1], [-1, -1, 1]], dtype='float64').transpose(),\
_get_scale(system)
elif system.ibrav == 4:
return _read_hexa(system)
elif system.ibrav == 5:
logger.warning('ibrav=5 has not been tested')
return _read_trig(system)
elif system.ibrav == -5:
logger.warning('ibrav=-5 has not been tested')
return _read_mtrig(system)
else:
NotImplementedError("Reading from this kind of lattice has not been implemented")
def qstat(self, arg):
""" SList of user's jobs.
The actual print-out and functionality will depend on the user-specified
function :py:func:`pylada.ipython_qstat`. However, in general %qstat should
work as follows:
>>> %qstat
[ 'id something something jobname' ]
It returns an SList_ of all the users jobs, with the job-id as the first
column and the job-name ass the last. The results can be filtered using
SList_'s grep, or directly as in:
>>> %qstat hello
[ 'id something something hellorestofname' ]
.. _SList: http://ipython.org/ipython-doc/stable/api/generated/IPython.utils.text.html#slist
"""
import pylada
if not hasattr(pylada, 'ipython_qstat'):
logger.warning("Missing ipython_qstat function: cannot use %qstat")
return []
ipython_qstat = pylada.ipython_qstat
arg = arg.rstrip().lstrip()
if len(arg) != 0 and '--help' in arg.split() or '-h' in arg.split():
print(self.qstat.__doc__ + '\n' + ipython_qstat.__doc__)
return
result = ipython_qstat(self, arg)
if len(arg) == 0:
return result
return result.grep(arg, field=-1)
def qstat(self, arg):
""" SList of user's jobs.
The actual print-out and functionality will depend on the user-specified
function :py:func:`pylada.ipython_qstat`. However, in general %qstat should
work as follows:
>>> %qstat
[ 'id something something jobname' ]
It returns an SList_ of all the users jobs, with the job-id as the first
column and the job-name ass the last. The results can be filtered using
SList_'s grep, or directly as in:
>>> %qstat hello
[ 'id something something hellorestofname' ]
.. _SList: http://ipython.org/ipython-doc/stable/api/generated/IPython.utils.text.html#slist
"""
import pylada
if not hasattr(pylada, 'ipython_qstat'):
logger.warning("Missing ipython_qstat function: cannot use %qstat")
return []
ipython_qstat = pylada.ipython_qstat
arg = arg.rstrip().lstrip()
if len(arg) != 0 and '--help' in arg.split() or '-h' in arg.split():
print(self.qstat.__doc__ + '\n' + ipython_qstat.__doc__)
return
result = ipython_qstat(self, arg)
if len(arg) == 0:
return result
return result.grep(arg, field=-1)
