IPKM/nmreval
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sub function show numbering; closes #70

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This commit is contained in:
Dominik Demuth 2023-05-19 18:13:57 +02:00
parent 2adf15104f
commit 65034d4518
3 changed files with 43 additions and 13 deletions
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6
src/gui_qt/main/management.py
View File

@ -653,12 +653,10 @@ class UpperManagement(QtCore.QObject):
else:
continue
for key, pvalue in data.parameter.items():
name = pvalue.full_name
fit_key = key + data.model_name
for fit_key, pvalue in data.parameter.items():
if fit_key not in fit_dict:
fit_dict[fit_key] = [[], name]
fit_dict[fit_key] = [[], fit_key]
err = 0 if pvalue.error is None else pvalue.error

5
src/nmreval/fit/_meta.py
View File

@ -68,6 +68,7 @@ class MultiModel:
self._kwargs_right = {}
self._kwargs_left = {}
self.fun_kwargs = {}
self.idx = (left_idx, right_idx)
# mapping kwargs to kwargs of underlying functions
self._ext_int_kw = {}
@ -178,13 +179,13 @@ class MultiModel:
if isinstance(self._left, MultiModel):
yield from self._left.sub_name()
elif hasattr(self._left, 'name'):
yield self._left.name
yield f'{self._left.name}({self.idx[0]})'
else:
yield self.name + '(lhs)'
if isinstance(self._right, MultiModel):
yield from self._right.sub_name()
elif hasattr(self._right, 'name'):
yield self._right.name
yield f'{self._right.name}({self.idx[1]})'
else:
yield self.name + '(rhs)'

45
src/nmreval/fit/result.py
View File

@ -65,16 +65,20 @@ class FitResultCreator:
resid = model.func(p_final, x_orig, **fun_kwargs) - y_orig
actual_complex_mode = 0
actual_mode = -1
if 'complex_mode' in fun_kwargs:
actual_complex_mode = fun_kwargs['complex_mode']
actual_mode = fun_kwargs['complex_mode']
fun_kwargs['complex_mode'] = 0
_y = model.func(p_final, _x, **fun_kwargs)
if actual_complex_mode == 1:
_y.imag = 0
elif actual_complex_mode == 2:
_y.real = 0
if not actual_mode < 0:
if actual_mode == 1:
_y.imag = 0
elif actual_mode == 2:
_y.real = 0
fun_kwargs['complex_mode'] = actual_mode
stats = FitResultCreator.calc_statistics(_y, resid, nobs, nvar)
varied = [p.var for p in parameters.values()]
@ -368,18 +372,45 @@ class FitResult(Points):
if self.func is None:
raise ValueError('no fit function available to calculate new y values')
actual_mode = -1
if 'complex_mode' in self.fun_kwargs:
actual_mode = self.fun_kwargs['complex_mode']
self.fun_kwargs['complex_mode'] = 0
new_fit = self.copy()
y_values = self.func.func(self.p_final, x_values, **self.fun_kwargs)
if not actual_mode < 0:
if actual_mode == 1:
y_values.imag = 0
elif actual_mode == 2:
y_values.real = 0
self.fun_kwargs['complex_mode'] = actual_mode
new_fit.set_data(x_values, y_values)
return new_fit
def sub(self, x_values):
part_functions = []
actual_mode = -1
if 'complex_mode' in self.fun_kwargs:
actual_mode = self.fun_kwargs['complex_mode']
self.fun_kwargs['complex_mode'] = 0
for sub_name, sub_y in zip(self.func.sub_name(), self.func.sub(self.p_final, x_values, **self.fun_kwargs)):
if np.iscomplexobj(sub_y):
if not actual_mode < 0:
if actual_mode == 1:
sub_y.imag = 0
elif actual_mode == 2:
sub_y.real = 0
part_functions.append(Signal(x_values, sub_y, name=sub_name))
else:
part_functions.append(Points(x_values, sub_y, name=sub_name))
if actual_mode < 0:
self.fun_kwargs['complex_mode'] = actual_mode
return part_functions