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))