def __init__(self, element_subshell, GOS=None):
# Declare the parameters
Component.__init__(self, [
'intensity', 'fine_structure_coeff', 'effective_angle',
'onset_energy'
],
linear_parameter_list=['intensity'])
if isinstance(element_subshell, dict):
self.element = element_subshell['element']
self.subshell = element_subshell['subshell']
else:
self.element, self.subshell = element_subshell.split('_')
self.name = "_".join([self.element, self.subshell])
self.energy_scale = None
self.effective_angle.free = False
self.fine_structure_active = False
self.fine_structure_width = 30.
self.fine_structure_coeff.ext_force_positive = False
self.GOS = None
# Set initial actions
if GOS is None:
try:
self.GOS = HartreeSlaterGOS(element_subshell)
GOS = 'Hartree-Slater'
except IOError:
GOS = 'hydrogenic'
_logger.info('Hartree-Slater GOS not available. '
'Using hydrogenic GOS')
if self.GOS is None:
if GOS == 'Hartree-Slater':
self.GOS = HartreeSlaterGOS(element_subshell)
elif GOS == 'hydrogenic':
self.GOS = HydrogenicGOS(element_subshell)
else:
raise ValueError('gos must be one of: None, \'hydrogenic\''
' or \'Hartree-Slater\'')
self.onset_energy.value = self.GOS.onset_energy
self.onset_energy.free = False
self._position = self.onset_energy
self.free_onset_energy = False
self.intensity.grad = self.grad_intensity
self.intensity.value = 1
self.intensity.bmin = 0.
self.intensity.bmax = None
self._whitelist['GOS'] = ('init', GOS)
if GOS == 'Hartree-Slater':
self._whitelist['element_subshell'] = (
'init', self.GOS.as_dictionary(True))
elif GOS == 'hydrogenic':
self._whitelist['element_subshell'] = ('init', element_subshell)
self._whitelist['fine_structure_active'] = None
self._whitelist['fine_structure_width'] = None
self._whitelist['fine_structure_smoothing'] = None
self.effective_angle.events.value_changed.connect(
self._integrate_GOS, [])
self.onset_energy.events.value_changed.connect(self._integrate_GOS, [])
self.onset_energy.events.value_changed.connect(self._calculate_knots,
[])
def __init__(self, element_subshell, GOS=None):
# Declare the parameters
Component.__init__(self,
['intensity',
'fine_structure_coeff',
'effective_angle',
'onset_energy'])
self.name = element_subshell
self.element, self.subshell = element_subshell.split('_')
self.energy_scale = None
self.effective_angle.free = False
self.fine_structure_active = preferences.EELS.fine_structure_active
self.fine_structure_width = preferences.EELS.fine_structure_width
self.fine_structure_coeff.ext_force_positive = False
self.GOS = None
# Set initial actions
if GOS is None:
try:
self.GOS = HartreeSlaterGOS(element_subshell)
GOS = 'Hartree-Slater'
except IOError:
GOS = 'hydrogenic'
messages.information(
'Hartree-Slater GOS not available'
'Using hydrogenic GOS')
if self.GOS is None:
if GOS=='Hartree-Slater':
self.GOS = HartreeSlaterGOS(element_subshell)
elif GOS == 'hydrogenic':
self.GOS = HydrogenicGOS(element_subshell)
else:
raise ValueError(
'gos must be one of: None, \'hydrogenic\''
' or \'Hartree-Slater\'')
self.onset_energy.value = self.GOS.onset_energy
self.onset_energy.free = False
self._position = self.onset_energy
self.free_onset_energy = False
self.intensity.grad = self.grad_intensity
self.intensity.value = 1
self.intensity.bmin = 0.
self.intensity.bmax = None
