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remove duplicate call of t1 calculate and t1 interpolation

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This commit is contained in:
Dominik Demuth 2023-07-21 19:53:08 +02:00
parent 0cf5d7eef9
commit 1ff462c4b1
5 changed files with 11 additions and 5 deletions
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8
src/gui_qt/_py/t1dialog.py
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@ -1,10 +1,11 @@
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
# Form implementation generated from reading ui file 'resources/_ui/t1dialog.ui' # Form implementation generated from reading ui file 'src/resources/_ui/t1dialog.ui'
# #
# Created by: PyQt5 UI code generator 5.12.3 # Created by: PyQt5 UI code generator 5.15.9
# #
# WARNING! All changes made in this file will be lost! # WARNING: Any manual changes made to this file will be lost when pyuic5 is
# run again. Do not edit this file unless you know what you are doing.
from PyQt5 import QtCore, QtGui, QtWidgets from PyQt5 import QtCore, QtGui, QtWidgets
@ -160,6 +161,7 @@ class Ui_t1dialog(object):
self.tau_combox.addItem("") self.tau_combox.addItem("")
self.gridLayout_4.addWidget(self.tau_combox, 1, 0, 1, 2) self.gridLayout_4.addWidget(self.tau_combox, 1, 0, 1, 2)
self.checkBox_interpol = QtWidgets.QCheckBox(self.groupBox_3) self.checkBox_interpol = QtWidgets.QCheckBox(self.groupBox_3)
self.checkBox_interpol.setEnabled(False)
self.checkBox_interpol.setObjectName("checkBox_interpol") self.checkBox_interpol.setObjectName("checkBox_interpol")
self.gridLayout_4.addWidget(self.checkBox_interpol, 2, 0, 1, 2) self.gridLayout_4.addWidget(self.checkBox_interpol, 2, 0, 1, 2)
self.graph_checkbox = QtWidgets.QCheckBox(self.groupBox_3) self.graph_checkbox = QtWidgets.QCheckBox(self.groupBox_3)

1
src/gui_qt/main/mainwindow.py
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@ -211,7 +211,6 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
self.ptsselectwidget.points_selected.connect(self.management.extract_points) self.ptsselectwidget.points_selected.connect(self.management.extract_points)
self.t1tauwidget.newData.connect(self.management.add_new_data)
self.t1tauwidget.newData.connect(self.management.add_new_data) self.t1tauwidget.newData.connect(self.management.add_new_data)
self.editsignalwidget.do_something.connect(self.management.apply) self.editsignalwidget.do_something.connect(self.management.apply)

2
src/gui_qt/nmr/t1widget.py
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@ -61,6 +61,8 @@ class QT1Widget(QtWidgets.QDialog, Ui_t1dialog):
self.freq_combox.currentIndexChanged.connect(lambda x: self.update_model()) self.freq_combox.currentIndexChanged.connect(lambda x: self.update_model())
self.freq_spinbox.valueChanged.connect(lambda x: self.update_model()) self.freq_spinbox.valueChanged.connect(lambda x: self.update_model())
self.checkBox_interpol.setVisible(False)
self.update_specdens(0) self.update_specdens(0)
self.update_coupling(0) self.update_coupling(0)

2
src/nmreval/io/dsc.py
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@ -292,7 +292,7 @@ class DSCCalibrator:
empty_y = empty_data[1] empty_y = empty_data[1]
if self.sample.length(idx) != self.empty.length(idx_empty): if self.sample.length(idx) != self.empty.length(idx_empty):
with np.errstate(all='ignore'): with np.errstate(all='ignore'):
empty_y = interp1d(empty_data[2], empty_data[1], fill_value='extrapolate')(sample_data[2]) empty_y = interp1d(empty_data[2]-empty_data[2, 0], empty_data[1], fill_value='extrapolate')(sample_data[2, 0])
sample_data[1] -= empty_y sample_data[1] -= empty_y
drift_value = sample_data.copy()[(2, 1), :] drift_value = sample_data.copy()[(2, 1), :]

3
src/resources/_ui/t1dialog.ui
View File

@ -451,6 +451,9 @@
</item> </item>
<item row="2" column="0" colspan="2"> <item row="2" column="0" colspan="2">
<widget class="QCheckBox" name="checkBox_interpol"> <widget class="QCheckBox" name="checkBox_interpol">
<property name="enabled">
<bool>false</bool>
</property>
<property name="text"> <property name="text">
<string>Use minimon interpolation</string> <string>Use minimon interpolation</string>
</property> </property>