regex for numeric value for data from text files; closes #127

src/gui_qt/_py/asciidialog.py

@@ -14,7 +14,7 @@ from PyQt5 import QtCore, QtGui, QtWidgets
 class Ui_ascii_reader(object):
     def setupUi(self, ascii_reader):
         ascii_reader.setObjectName("ascii_reader")
-        ascii_reader.resize(627, 1245)
+        ascii_reader.resize(665, 904)
         self.verticalLayout = QtWidgets.QVBoxLayout(ascii_reader)
         self.verticalLayout.setObjectName("verticalLayout")
         self.tabWidget = QtWidgets.QTabWidget(ascii_reader)
@@ -156,39 +156,51 @@ class Ui_ascii_reader(object):
         spacerItem1 = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding)
         self.gridLayout_2.addItem(spacerItem1, 4, 1, 1, 1)
         self.horizontalLayout_4.addLayout(self.gridLayout_2)
-        self.verticalLayout_4 = QtWidgets.QVBoxLayout()
-        self.verticalLayout_4.setObjectName("verticalLayout_4")
-        self.horizontalLayout_4.addLayout(self.verticalLayout_4)
         self.verticalLayout_3.addWidget(self.groupBox)
         self.dsdfsf = QtWidgets.QLabel(self.tabWidgetPage1)
         self.dsdfsf.setObjectName("dsdfsf")
         self.verticalLayout_3.addWidget(self.dsdfsf)
-        self.label_8 = QtWidgets.QLabel(self.tabWidgetPage1)
+        self.gridLayout = QtWidgets.QGridLayout()
-        self.label_8.setObjectName("label_8")
+        self.gridLayout.setObjectName("gridLayout")
-        self.verticalLayout_3.addWidget(self.label_8)
+        self.re_match_index = QtWidgets.QSpinBox(self.tabWidgetPage1)
-        self.radioButton = QtWidgets.QRadioButton(self.tabWidgetPage1)
+        self.re_match_index.setMinimum(1)
-        self.radioButton.setObjectName("radioButton")
+        self.re_match_index.setObjectName("re_match_index")
+        self.gridLayout.addWidget(self.re_match_index, 1, 3, 1, 1)
+        self.label_9 = QtWidgets.QLabel(self.tabWidgetPage1)
+        self.label_9.setObjectName("label_9")
+        self.gridLayout.addWidget(self.label_9, 1, 2, 1, 1)
+        self.regex_input = QtWidgets.QLineEdit(self.tabWidgetPage1)
+        sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
+        sizePolicy.setHorizontalStretch(0)
+        sizePolicy.setVerticalStretch(0)
+        sizePolicy.setHeightForWidth(self.regex_input.sizePolicy().hasHeightForWidth())
+        self.regex_input.setSizePolicy(sizePolicy)
+        self.regex_input.setObjectName("regex_input")
+        self.gridLayout.addWidget(self.regex_input, 1, 1, 1, 1)
+        self.re_button = QtWidgets.QRadioButton(self.tabWidgetPage1)
+        self.re_button.setChecked(True)
+        self.re_button.setObjectName("re_button")
         self.buttonGroup_2 = QtWidgets.QButtonGroup(ascii_reader)
         self.buttonGroup_2.setObjectName("buttonGroup_2")
-        self.buttonGroup_2.addButton(self.radioButton)
+        self.buttonGroup_2.addButton(self.re_button)
-        self.verticalLayout_3.addWidget(self.radioButton)
+        self.gridLayout.addWidget(self.re_button, 1, 0, 1, 1)
-        self.lineEdit = QtWidgets.QLineEdit(self.tabWidgetPage1)
+        self.custom_input = QtWidgets.QLineEdit(self.tabWidgetPage1)
-        self.lineEdit.setObjectName("lineEdit")
+        sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed)
-        self.verticalLayout_3.addWidget(self.lineEdit)
+        sizePolicy.setHorizontalStretch(0)
-        self.radioButton_2 = QtWidgets.QRadioButton(self.tabWidgetPage1)
+        sizePolicy.setVerticalStretch(0)
-        self.radioButton_2.setObjectName("radioButton_2")
+        sizePolicy.setHeightForWidth(self.custom_input.sizePolicy().hasHeightForWidth())
-        self.buttonGroup_2.addButton(self.radioButton_2)
+        self.custom_input.setSizePolicy(sizePolicy)
-        self.verticalLayout_3.addWidget(self.radioButton_2)
+        self.custom_input.setObjectName("custom_input")
-        self.lineEdit_2 = QtWidgets.QLineEdit(self.tabWidgetPage1)
+        self.gridLayout.addWidget(self.custom_input, 2, 1, 1, 1)
-        self.lineEdit_2.setObjectName("lineEdit_2")
+        self.custom_button = QtWidgets.QRadioButton(self.tabWidgetPage1)
-        self.verticalLayout_3.addWidget(self.lineEdit_2)
+        self.custom_button.setObjectName("custom_button")
-        self.radioButton_3 = QtWidgets.QRadioButton(self.tabWidgetPage1)
+        self.buttonGroup_2.addButton(self.custom_button)
-        self.radioButton_3.setObjectName("radioButton_3")
+        self.gridLayout.addWidget(self.custom_button, 2, 0, 1, 1)
-        self.buttonGroup_2.addButton(self.radioButton_3)
+        self.label_8 = QtWidgets.QLabel(self.tabWidgetPage1)
-        self.verticalLayout_3.addWidget(self.radioButton_3)
+        self.label_8.setWordWrap(True)
-        self.spinBox = QtWidgets.QSpinBox(self.tabWidgetPage1)
+        self.label_8.setObjectName("label_8")
-        self.spinBox.setObjectName("spinBox")
+        self.gridLayout.addWidget(self.label_8, 0, 0, 1, 4)
-        self.verticalLayout_3.addWidget(self.spinBox)
+        self.verticalLayout_3.addLayout(self.gridLayout)
         self.groupBox_2 = QtWidgets.QGroupBox(self.tabWidgetPage1)
         sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.MinimumExpanding)
         sizePolicy.setHorizontalStretch(0)
@@ -330,10 +342,11 @@ class Ui_ascii_reader(object):
         self.label_5.setText(_translate("ascii_reader", "<html><head/><body><p>Δy</p></body></html>"))
         self.x_label.setText(_translate("ascii_reader", "x"))
         self.dsdfsf.setText(_translate("ascii_reader", "Numerical value"))
+        self.label_9.setText(_translate("ascii_reader", "Match index"))
+        self.regex_input.setToolTip(_translate("ascii_reader", "<html><head/><body><p>Token:<br/>[abc]: Matches any of a, b, or c<br/>[a-z]: Matches any digit in the range a-z<br/>\\d: Matches any digit in the range 0-9 (equal to [0-9}</p><p>Quantifiers:<br/>a*: 0 or more of a<br/>a*: 1 or more of a<br/>a?: 0 or 1 of a</p></body></html>"))
+        self.re_button.setText(_translate("ascii_reader", "Regex"))
+        self.custom_button.setText(_translate("ascii_reader", "Custom value"))
         self.label_8.setText(_translate("ascii_reader", "Filename"))
-        self.radioButton.setText(_translate("ascii_reader", "Regex"))
-        self.radioButton_2.setText(_translate("ascii_reader", "Custom value"))
-        self.radioButton_3.setText(_translate("ascii_reader", "Position in filename"))
         self.groupBox_2.setTitle(_translate("ascii_reader", "Preview"))
         self.tabWidget.setTabText(self.tabWidget.indexOf(self.tabWidgetPage1), _translate("ascii_reader", "Data"))
         self.label_2.setText(_translate("ascii_reader", "Number of delays"))

src/gui_qt/io/asciireader.py

@@ -1,6 +1,6 @@
 from __future__ import annotations
 
-from pathlib import Path
+import re
 
 from nmreval.io.asciireader import AsciiReader
 from nmreval.utils import NUMBER_RE
@@ -18,6 +18,9 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
         self.setupUi(self)
 
         self.reader = None
+        self._matches = []
+        self.regex_input.setText(NUMBER_RE.pattern)
+        self.custom_input.setValidator(QtGui.QDoubleValidator())
 
         self.comment_textfield = QtWidgets.QPlainTextEdit(self.header_widget)
         self.comment_textfield.setReadOnly(True)
@@ -46,6 +49,8 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
     def __call__(self, fname, *args, **kwargs):
         self.reader = AsciiReader(fname)
 
+        self.check_filename(self.regex_input.text())
+
         if self.skip:
             self.accept()
             return
@@ -62,8 +67,6 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
         self.skippy_checkbox.setCheckState(QtCore.Qt.Unchecked)
         self.skippy_checkbox.blockSignals(False)
 
-        self.check_filename(fname)
-
         return self
 
     def set_gui(self):
@@ -204,9 +207,14 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
             col_header = [col_header[i] for i in range(len(col_header)) if i in y]
 
         try:
-            ret_dic = self.reader.export(x=x, y=y, yerr=y_err,
+            ret_dic = self.reader.export(
+                x=x,
+                y=y,
+                yerr=y_err,
                 mode=self.buttonGroup.checkedButton().text(),
-                                         col_names=col_header)
+                col_names=col_header,
+                num_value=self.get_numerical_value(),
+            )
             self.data_read.emit(ret_dic)
 
         except ImportError as e:
@@ -223,7 +231,45 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
     def skip_next_dial(self, _: int):
         self.skip = self.skippy_checkbox.isChecked()
 
-    def check_filename(self, filename: str | Path):
+    @QtCore.pyqtSlot(str, name='on_regex_input_textChanged')
-        self.label_8.setText(str(filename.stem))
+    def check_filename(self, pattern: str = NUMBER_RE.pattern):
-        for i in NUMBER_RE.finditer(str(filename.stem)):
+        if self.reader is None:
-            print(i)
+            return
+
+        try:
+            pattern = re.compile(pattern)
+            self.regex_input.setStyleSheet('color: rgb(0, 0, 0)')
+            self._matches = [m for m in pattern.finditer(str(self.reader.fname.stem))]
+        except re.error:
+            self._matches = []
+
+        if self._matches:
+            self.re_match_index.blockSignals(True)
+            self.re_match_index.setMaximum(len(self._matches))
+            self.re_match_index.blockSignals(False)
+        else:
+            self.regex_input.setStyleSheet('color: rgb(255, 0, 0)')
+
+        self.show_match(self.re_match_index.value())
+
+    @QtCore.pyqtSlot(int, name='on_re_match_index_valueChanged')
+    def show_match(self, idx: int = 0):
+        fname = str(self.reader.fname.stem)
+
+        if self._matches:
+            m = self._matches[idx-1]
+            self.label_8.setText(f'{fname[:m.start()]}<b>{fname[m.start():m.end()]}</b>{fname[m.end():]}')
+        else:
+            self.label_8.setText(fname)
+
+    def get_numerical_value(self):
+        val = 0
+        if self.re_button.isChecked() and self._matches:
+            m = self._matches[self.re_match_index.value()-1]
+            val = float(NUMBER_RE.search(m.group()).group().replace('p', '.'))
+        elif self.custom_button.isChecked():
+            val = float(self.custom_input.text())
+
+        return val
+
+

src/nmreval/io/asciireader.py

@@ -11,8 +11,6 @@ from ..data.bds import BDS
 from ..data.dsc import DSC
 from ..utils.utils import staggered_range
 
-NUMBERRE = re.compile(r'[0-9]\.*[0-9]*[Ee]*[+-]*[0-9]*')
-
 
 class AsciiReader:
     # delimiters = ['\t', ' ', ',']
@@ -87,8 +85,15 @@ class AsciiReader:
         if stagg:
             self.delays = staggered_range(self.delays, stepsize=stag_size)
 
-    def export(self, x: int = None, y: list = None, yerr: list = None,
+    def export(
-               mode: str = 'points', col_names=None) -> list:
+            self: 'AsciiReader',
+            x: int = None,
+            y: list = None,
+            yerr: list = None,
+            mode: str = 'points',
+            col_names=None,
+            num_value: float = None,
+    ) -> list:
 
         mode = mode.lower()
         if mode not in ['points', 'fid', 'spectrum', 'dsc', 'bds']:
@@ -138,12 +143,18 @@ class AsciiReader:
         if self.delays:
             delay_names = self.delays
         else:
-            delay_names = [filename]
+            delay_names = [num_value]
 
         imported_sets = []
 
         for i, value in enumerate(delay_names):
-            kwargs = {'value': value, 'filename': self.fname, 'name': filename, 'group': filename, 'y_err': None}
+            kwargs = {
+                'value': value,
+                'filename': self.fname,
+                'name': filename,
+                'group': filename,
+                'y_err': None
+            }
 
             num_y = len(y)
             single_len = 1

src/nmreval/utils/__init__.py

@@ -4,3 +4,4 @@ from .constants import *
 
 
 NUMBER_RE = re.compile(r'[-+]?\d*[+p.]?\d+([eE][-+]?\d+)?', re.MULTILINE)
+UNSIGNED_NUMBER_RE = re.compile(r'[-+]?\d*[+p.]?\d+([eE][-+]?\d+)?', re.MULTILINE)

src/resources/_ui/asciidialog.ui

@@ -6,8 +6,8 @@
    <rect>
     <x>0</x>
     <y>0</y>
-    <width>627</width>
+    <width>665</width>
-    <height>1245</height>
+    <height>904</height>
    </rect>
   </property>
   <property name="windowTitle">
@@ -301,9 +301,6 @@
             </item>
            </layout>
           </item>
-          <item>
-           <layout class="QVBoxLayout" name="verticalLayout_4"/>
-          </item>
          </layout>
         </widget>
        </item>
@@ -315,27 +312,59 @@
         </widget>
        </item>
        <item>
-        <widget class="QLabel" name="label_8">
+        <layout class="QGridLayout" name="gridLayout">
-         <property name="text">
+         <item row="1" column="3">
-          <string>Filename</string>
+          <widget class="QSpinBox" name="re_match_index">
+           <property name="minimum">
+            <number>1</number>
            </property>
           </widget>
          </item>
-       <item>
+         <item row="1" column="2">
-        <widget class="QRadioButton" name="radioButton">
+          <widget class="QLabel" name="label_9">
+           <property name="text">
+            <string>Match index</string>
+           </property>
+          </widget>
+         </item>
+         <item row="1" column="1">
+          <widget class="QLineEdit" name="regex_input">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+           <property name="toolTip">
+            <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Token:&lt;br/&gt;[abc]: Matches any of a, b, or c&lt;br/&gt;[a-z]: Matches any digit in the range a-z&lt;br/&gt;\d: Matches any digit in the range 0-9 (equal to [0-9}&lt;/p&gt;&lt;p&gt;Quantifiers:&lt;br/&gt;a*: 0 or more of a&lt;br/&gt;a*: 1 or more of a&lt;br/&gt;a?: 0 or 1 of a&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           </property>
+          </widget>
+         </item>
+         <item row="1" column="0">
+          <widget class="QRadioButton" name="re_button">
            <property name="text">
             <string>Regex</string>
            </property>
+           <property name="checked">
+            <bool>true</bool>
+           </property>
            <attribute name="buttonGroup">
             <string notr="true">buttonGroup_2</string>
            </attribute>
           </widget>
          </item>
-       <item>
+         <item row="2" column="1">
-        <widget class="QLineEdit" name="lineEdit"/>
+          <widget class="QLineEdit" name="custom_input">
+           <property name="sizePolicy">
+            <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+             <horstretch>0</horstretch>
+             <verstretch>0</verstretch>
+            </sizepolicy>
+           </property>
+          </widget>
          </item>
-       <item>
+         <item row="2" column="0">
-        <widget class="QRadioButton" name="radioButton_2">
+          <widget class="QRadioButton" name="custom_button">
            <property name="text">
             <string>Custom value</string>
            </property>
@@ -344,21 +373,17 @@
            </attribute>
           </widget>
          </item>
-       <item>
+         <item row="0" column="0" colspan="4">
-        <widget class="QLineEdit" name="lineEdit_2"/>
+          <widget class="QLabel" name="label_8">
-       </item>
-       <item>
-        <widget class="QRadioButton" name="radioButton_3">
            <property name="text">
-          <string>Position in filename</string>
+            <string>Filename</string>
+           </property>
+           <property name="wordWrap">
+            <bool>true</bool>
            </property>
-         <attribute name="buttonGroup">
-          <string notr="true">buttonGroup_2</string>
-         </attribute>
           </widget>
          </item>
-       <item>
+        </layout>
-        <widget class="QSpinBox" name="spinBox"/>
        </item>
        <item>
         <widget class="QGroupBox" name="groupBox_2">
@@ -614,8 +639,8 @@
    <slot>close()</slot>
    <hints>
     <hint type="sourcelabel">
-     <x>366</x>
+     <x>375</x>
-     <y>485</y>
+     <y>894</y>
     </hint>
     <hint type="destinationlabel">
      <x>366</x>
@@ -625,7 +650,7 @@
   </connection>
  </connections>
  <buttongroups>
-  <buttongroup name="buttonGroup"/>
   <buttongroup name="buttonGroup_2"/>
+  <buttongroup name="buttonGroup"/>
  </buttongroups>
 </ui>