def energy_grid(self, array, e0, edge_start, edge_end, preedge_spacing, xanes, exafsk):
preedge = np.arange(np.min(array), edge_start, preedge_spacing)
edge = np.arange(edge_start, edge_end, xanes)
eenergy = xray.k2e(xray.e2k(edge_end, e0), e0)
postedge = np.array([])
while(eenergy < np.max(array)):
kenergy = xray.e2k(eenergy, e0)
kenergy += exafsk
eenergy = xray.k2e(kenergy, e0)
postedge = np.append(postedge, eenergy)
return np.append(np.append(preedge, edge), postedge)
def get_k_data(self,
e0,
edge_end,
exafsk,
y_data,
interp_dict,
en_orig,
data_orig,
pow=1,
energy_string='energy'):
df = pd.DataFrame({k: v[:, 1]
for k, v in interp_dict.items()
}).sort_values(energy_string)
energy_array = df[energy_string].values
e_interval = self.get_k_interval(energy_array, e0, e0 + edge_end,
exafsk)
k_interval = xray.e2k(e_interval, e0) #e0 + edge_end)
condition = en_orig >= e0 + edge_end
en_orig = np.extract(condition, en_orig)
data_orig = np.extract(condition, data_orig)
polyfit = np.polyfit(en_orig, data_orig, 2) #2 is ok?
p = np.poly1d(polyfit)
calibration = p(e_interval)
y_data = y_data[-len(k_interval):] - calibration
data = y_data[-len(k_interval):] * (k_interval**pow)
return np.array([k_interval, data])
def get_k_data(self,
e0,
edge_end,
exafsk,
df,
en_orig,
data_orig,
pow=1,
energy_string='energy'):
y_data = data_orig.copy()
energy_array = df[energy_string].values
e_interval = self.get_k_interval(energy_array, e0, e0 + edge_end,
exafsk)
k_interval = xray.e2k(e_interval, e0) #e0 + edge_end)
condition = en_orig >= e0 + edge_end
en_orig = np.extract(condition, en_orig)
data_orig = np.extract(condition, data_orig)
try:
polyfit = np.polyfit(en_orig, data_orig, 2) #2 is ok?
p = np.poly1d(polyfit)
calibration = p(e_interval)
y_data = y_data[-len(k_interval):] - calibration
data = y_data[-len(k_interval):] * (k_interval**pow)
return np.array([k_interval, data])
except Exception as exc:
print(exc)
return np.array([[], []])
def mouse_press_event(self, event):
e_vs_k_discriminate_list = [
'pushButton_spline_lo_set', 'pushButton_spline_hi_set',
'pushButton_k_ft_lo_set', 'pushButton_k_ft_hi_set'
]
lineEdit = getattr(
self, self.pushButton_set_to_lineEdit_dict[self.sender_object])
e0 = float(self.lineEdit_e0.text())
if self.sender_object == 'pushButton_e0_set':
new_value = event.xdata
elif self.sender_object == 'pushButton_truncate_at_set':
if self.current_plot_in == 'e':
new_value = event.xdata
elif self.current_plot_in == 'k':
new_value = k2e(event.xdata, e0)
elif self.sender_object in e_vs_k_discriminate_list:
if self.current_plot_in == 'k':
new_value = event.xdata
elif self.current_plot_in == 'e':
new_value = e2k(event.xdata, e0)
else:
new_value = event.xdata - e0
lineEdit.setText('{:.1f}'.format(new_value))
sender_object = lineEdit
print(sender_object)
selection = self.listView_xasproject.selectedIndexes()
if selection != []:
index = selection[0].row()
ds = self.xasproject[index]
try:
float(sender_object.text())
setattr(
ds, self.lineEdit_to_ds_parameter_dict[
sender_object.objectName()],
float(sender_object.text()))
except:
print('what' 's going wrong')
self._disconnect_cid()
def get_k_data(self,
e0,
edge_end,
exafsk,
y_data,
energy_array,
en_orig,
data_orig,
pow=1):
e_interval = self.get_k_interval(energy_array, e0, e0 + edge_end,
exafsk)
k_interval = xray.e2k(e_interval, e0) #e0 + edge_end)
condition = en_orig >= e0 + edge_end
en_orig = np.extract(condition, en_orig)
data_orig = np.extract(condition, data_orig)
polyfit = np.polyfit(en_orig, data_orig, 2) #2 is ok?
p = np.poly1d(polyfit)
calibration = p(e_interval)
y_data = y_data[-len(k_interval):] - calibration
data = y_data[-len(k_interval):] * (k_interval**pow)
return np.array([k_interval, data])
