def new(self, parameters):
self.clear()
# pylint: disable=pointless-string-statement
"""Accepts several ways to spell new cell params."""
lattice = parameters.pop('lattice', None)
if lattice is not None:
try:
parameters['a'], parameters['b'], parameters['c'] = lattice
except Exception:
self.log.warning('invalid lattice spec ignored, should be '
'[a, b, c]')
angles = parameters.pop('angles', None)
if angles is not None:
try:
parameters['alpha'], parameters['beta'], \
parameters['gamma'] = angles
except Exception:
self.log.warning('invalid angles spec ignored, should be '
'[alpha, beta, gamma]')
self.a = parameters.pop('a', None)
if self.a is None:
if 'cell' not in parameters:
self.log.warning('using dummy lattice constant of 5 A')
self.a = 5.0
self.b = parameters.pop('b', self.a)
self.c = parameters.pop('c', self.a)
self.alpha = parameters.pop('alpha', 90.0)
self.beta = parameters.pop('beta', 90.0)
self.gamma = parameters.pop('gamma', 90.0)
self.bravais = parameters.pop('bravais', 'P')
self.laue = parameters.pop('laue', '1')
Sample.new(self, parameters)
def new(self, parameters):
"""Accepts several ways to spell new cell params."""
lattice = parameters.pop('lattice', None)
if lattice is not None:
try:
parameters['a'], parameters['b'], parameters['c'] = lattice
except Exception:
self.log.warning('invalid lattice spec ignored, should be '
'[a, b, c]')
angles = parameters.pop('angles', None)
if angles is not None:
try:
parameters['alpha'], parameters['beta'], \
parameters['gamma'] = angles
except Exception:
self.log.warning('invalid angles spec ignored, should be '
'[alpha, beta, gamma]')
a = parameters.pop('a', None)
if a is None:
if 'cell' not in parameters:
self.log.warning('using dummy lattice constant of 5 A')
a = 5.0
b = parameters.pop('b', a)
c = parameters.pop('c', a)
alpha = parameters.pop('alpha', 90.0)
beta = parameters.pop('beta', 90.0)
gamma = parameters.pop('gamma', 90.0)
# TODO: map spacegroup/bravais/laue with triple-axis
bravais = parameters.pop('bravais', 'P')
laue = parameters.pop('laue', '1')
if 'cell' not in parameters:
parameters['cell'] = [a, b, c, alpha, beta, gamma, bravais, laue]
Sample.new(self, parameters)
def clear(self):
Sample.clear(self)
self.lattice = [2 * pi, 2 * pi, 2 * pi]
self.angles = [90, 90, 90]
self.orient1 = [1, 0, 0]
self.orient2 = [0, 1, 0]
self.psi0 = 0.0
self.spacegroup = 1 # primitive triclinic, all reflexes allowed
self.mosaic = 0.5
def _applyParams(self, number, parameters):
"""Apply sample parameters.
"""
Sample._applyParams(self, number, parameters)
if 'length' in parameters:
self.length = parameters['length']
if 'thickness' in parameters:
self.thickness = parameters['thickness']
if 'height' in parameters:
self.height = parameters['height']
if 'm' in parameters:
self.m = parameters['m']
if 'alfa' in parameters:
self.alfa = parameters['alfa']
if 'waviness' in parameters:
self.waviness = parameters['waviness']
if 'rflfile' in parameters:
self.rflfile = parameters['rflfile']
def clear(self):
"""Clear experiment-specific information."""
Sample.clear(self)
self.cell = SXTalCell.fromabc(5)
self.peaklists = {}
self.poslists = {}
def _applyParams(self, number, parameters):
Sample._applyParams(self, number, parameters)
if 'cell' in parameters:
self.cell = parameters['cell']
def _applyParams(self, number, parameters):
"""Apply sample parameters."""
NicosSample._applyParams(self, number, parameters)
self.sampleid = parameters.get('id')
def clear(self):
"""Clear experiment-specific information."""
NicosSample.clear(self)
self.sampleid = None
def _applyParams(self, number, parameters):
if number > 0:
# move sample changer to new position!
sc = session.getDevice('SampleChanger')
sc.maw(number)
NicosSample._applyParams(self, number, parameters)
def new(self, parameters):
if self.samplenumber is None:
NicosSample.new(self, parameters)
else:
self.set(self.samplenumber, parameters)
self._applyParams(self.samplenumber, parameters)
def _applyParams(self, number, parameters):
Sample._applyParams(self, number, parameters)
for key, value in parameters.items():
if key in ['lattice', 'angles', 'orient1', 'orient2', 'psi0',
'spacegroup', 'mosaic']:
setattr(self, key, value)
def clear(self):
"""Clear experiment-specific information."""
Sample.clear(self)
self.ubmatrix = None
for rfl in self._attached_reflists:
rfl.clear()
def _applyParams(self, number, parameters):
Sample._applyParams(self, number, parameters)