Add standard deviation to averaging methods of pick points

src/gui_qt/_py/ptstab.py

@@ -1,10 +1,11 @@
 # -*- coding: utf-8 -*-
 
-# Form implementation generated from reading ui file 'resources/_ui/ptstab.ui'
+# Form implementation generated from reading ui file './nmreval/src/resources/_ui/ptstab.ui'
 #
-# Created by: PyQt5 UI code generator 5.12.3
+# Created by: PyQt5 UI code generator 5.15.10
 #
-# 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
@@ -45,6 +46,7 @@ class Ui_Form(object):
         self.average_combobox.addItem("")
         self.average_combobox.addItem("")
         self.average_combobox.addItem("")
+        self.average_combobox.addItem("")
         self.horizontalLayout.addWidget(self.average_combobox)
         self.verticalLayout.addWidget(self.groupBox)
         self.groupBox_2 = QtWidgets.QGroupBox(Form)
@@ -111,7 +113,7 @@ class Ui_Form(object):
 "Single number for points (e.g. 1e-6); \n"
 "two numbers separated by space for regions (e.g. 1e-6 5e-6). \n"
 "Changing between regions and points is NOT possible"))
-        self.groupBox.setTitle(_translate("Form", "Average"))
+        self.groupBox.setTitle(_translate("Form", "Average (drop-down used for pts and regions)"))
         self.left_pt.setSuffix(_translate("Form", " pts"))
         self.left_pt.setPrefix(_translate("Form", "- "))
         self.right_pt.setSuffix(_translate("Form", " pts"))
@@ -119,6 +121,7 @@ class Ui_Form(object):
         self.average_combobox.setItemText(0, _translate("Form", "Mean"))
         self.average_combobox.setItemText(1, _translate("Form", "Sum"))
         self.average_combobox.setItemText(2, _translate("Form", "Integral"))
+        self.average_combobox.setItemText(3, _translate("Form", "Std. deviation"))
         self.groupBox_2.setTitle(_translate("Form", "Special value"))
         self.special_comboBox.setToolTip(_translate("Form", "Automatic selection of respective points"))
         self.special_comboBox.setItemText(0, _translate("Form", "max(y)"))

src/gui_qt/data/point_select.py

@@ -91,7 +91,7 @@ class PointSelectWidget(QtWidgets.QWidget, Ui_Form):
             item = QtWidgets.QListWidgetItem(f'{self.pts[-1][0]:.5g} - {self.pts[-1][1]:.5g}')
         else:
             item = QtWidgets.QListWidgetItem(f'{self.pts[-1]:.5g}')
-        item.setFlags(item.flags() ^ QtCore.Qt.ItemIsEditable)
+        item.setFlags(item.flags() ^ QtCore.Qt.ItemFlag.ItemIsEditable)
         self.peaktable.blockSignals(True)
         self.peaktable.addItem(item)
         self.peaktable.blockSignals(False)
@@ -103,7 +103,7 @@ class PointSelectWidget(QtWidgets.QWidget, Ui_Form):
     @QtCore.pyqtSlot()
     def apply(self) -> dict:
         ret_dic = {'avg_range': [self.left_pt.value(), self.right_pt.value()],
-                   'avg_mode': {0: 'mean', 1: 'sum', 2: 'integral'}[self.average_combobox.currentIndex()],
+                   'avg_mode': {0: 'mean', 1: 'sum', 2: 'integral', 3: 'std'}[self.average_combobox.currentIndex()],
                    'special': None, 'idx': None,
                    'xy': (self.xbutton.isChecked(), self.ybutton.isChecked())}
 
@@ -199,4 +199,4 @@ class PointSelectWidget(QtWidgets.QWidget, Ui_Form):
 
     @QtCore.pyqtSlot(int, name='on_graph_checkbox_stateChanged')
     def changed_state(self, checked):
-        self.graph_combobox.setEnabled(checked != QtCore.Qt.Checked)
+        self.graph_combobox.setEnabled(checked != QtCore.Qt.CheckState.Checked)

src/nmreval/data/points.py

@@ -294,7 +294,7 @@ class Points:
 
             avg_range (tuple of int) :
                 Region for average of y values. Tuple (a, b) uses ``y[i-a:i+b+1]`` around index `i`. Default is (0, 0).
-            avg_mode (str {'mean', 'sum', 'integral'} , optional) :
+            avg_mode (str {'mean', 'sum', 'integral', 'std'} , optional) :
                 Averaging type
 
                 `mean` : Arithmetic average
@@ -303,6 +303,8 @@ class Points:
 
                 'integral`: Integration over range using Simpson's rule
 
+                'std': Standard deviation
+
             pts (list, optional) :
                 If given, points will be appended.
 
@@ -313,8 +315,8 @@ class Points:
         if (idx is None) and (special is None):
             raise ValueError('Either `idx` or `special` must be given')
 
-        if avg_mode not in ['mean', 'sum', 'integral']:
+        if avg_mode not in ['mean', 'sum', 'integral', 'std']:
-            raise ValueError(f'Parameter `avg_mode` is `mean`, `sum`, `integral`, not `{avg_mode}`' )
+            raise ValueError(f'Parameter `avg_mode` is `mean`, `sum`, `integral`, `std`, not `{avg_mode}`' )
 
         if pts is None:
             pts = []
@@ -388,6 +390,10 @@ class Points:
             y_mean = simpson(y[left:right].real, x=x[left:right])
             y_err_mean = np.linalg.norm(cumulative_trapezoid(y_err[left:right].real, x=x[left:right]))
 
+        elif mode == 'std':
+            y_mean = np.std(y[left:right])
+            y_err_mean = 0.
+
         else:
             y_mean = y[idx].real
             y_err_mean = y_err[idx]

src/resources/_ui/ptstab.ui

@@ -42,7 +42,7 @@ Changing between regions and points is NOT possible</string>
    <item>
     <widget class="QGroupBox" name="groupBox">
      <property name="title">
-      <string>Average</string>
+      <string>Average (drop-down used for pts and regions)</string>
      </property>
      <layout class="QHBoxLayout" name="horizontalLayout">
       <property name="spacing">
@@ -109,6 +109,11 @@ Changing between regions and points is NOT possible</string>
           <string>Integral</string>
          </property>
         </item>
+        <item>
+         <property name="text">
+          <string>Std. deviation</string>
+         </property>
+        </item>
        </widget>
       </item>
      </layout>