def fapplyAt(self, fun, message, element=None):
if element is None:
element = message
step = WorkflowStep(fun)
step.operation_name = message
step.set_order(replaces=element)
self.history.append(step)
return self.update_data()
def baseline(nmrSpec, method='auto', ret='corrected'):
dim = nmrSpec.udic['ndim'] - 1
if nmrSpec.udic[dim]['time']:
raise DomainError(
'Spectrum must be in the time domain for Baseline correction.')
if method == 'auto':
method = constant
est = method(nmrSpec)
if ret == 'baseline': # return estimated baseline
return est
return WorkflowStep(np.subtract, est)
def autops(spec, method='minpoint', p0only=False):
objfn = {
"entropy": min_entropy,
"integ": max_integ,
"minpoint": min_point,
"peakmin": peak_minima,
"whiten": whiten,
"atan": None #TODO
}[method]
ffted_spec = fft_positive(spec.original_data())
corrected = _optimize_phase(ffted_spec, objfn, p0only)
phc = {}
for i in range(0, corrected.udic['ndim']):
phc['F' + str(i + 1) + '_p0'] = corrected.udic[i]['phc'][0]
phc['F' + str(i + 1) + '_p1'] = corrected.udic[i]['phc'][1]
return WorkflowStep(ps, **phc)
def fapplyBefore(self, fun, message, element):
step = WorkflowStep(fun)
step.operation_name = message
step.set_order(before=element)
self.history.append(step)
return self.update_data()
def fapplyAtIndex(self, fun, message, idx):
step = WorkflowStep(fun)
step.operation_name = message
self.history.append(step, order=idx)
return self.update_data()
def fapply(self, fun, message):
step = WorkflowStep(fun)
step.operation_name = message
self.history.append(step)
return self.setData(fun(self))
