Merge branch 'master' of ssh://chaos3.fkp.physik.tu-darmstadt.de/source/nmreval

This commit is contained in:
Markus Rosenstihl 2022-11-20 14:27:55 +01:00
commit 91d3f586c1
11 changed files with 206 additions and 157 deletions

View File

@ -1,10 +1,11 @@
# -*- coding: utf-8 -*-
# Form implementation generated from reading ui file '_ui/asciidialog.ui'
# Form implementation generated from reading ui file '/autohome/dominik/nmreval/src/resources/_ui/asciidialog.ui'
#
# Created by: PyQt5 UI code generator 5.12.3
# Created by: PyQt5 UI code generator 5.15.4
#
# 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
@ -23,11 +24,11 @@ class Ui_ascii_reader(object):
self.verticalLayout_3 = QtWidgets.QVBoxLayout(self.tabWidgetPage1)
self.verticalLayout_3.setContentsMargins(0, 0, 0, 0)
self.verticalLayout_3.setObjectName("verticalLayout_3")
self.plainTextEdit_2 = QtWidgets.QPlainTextEdit(self.tabWidgetPage1)
self.plainTextEdit_2.setEnabled(False)
self.plainTextEdit_2.setMaximumSize(QtCore.QSize(16777215, 180))
self.plainTextEdit_2.setObjectName("plainTextEdit_2")
self.verticalLayout_3.addWidget(self.plainTextEdit_2)
self.comment_textfield = QtWidgets.QPlainTextEdit(self.tabWidgetPage1)
self.comment_textfield.setEnabled(False)
self.comment_textfield.setMaximumSize(QtCore.QSize(16777215, 180))
self.comment_textfield.setObjectName("comment_textfield")
self.verticalLayout_3.addWidget(self.comment_textfield)
self.ascii_table = QtWidgets.QTableWidget(self.tabWidgetPage1)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Expanding)
sizePolicy.setHorizontalStretch(0)
@ -49,9 +50,9 @@ class Ui_ascii_reader(object):
self.tabWidgetPage2.setObjectName("tabWidgetPage2")
self.horizontalLayout_3 = QtWidgets.QHBoxLayout(self.tabWidgetPage2)
self.horizontalLayout_3.setObjectName("horizontalLayout_3")
self.plainTextEdit = QtWidgets.QPlainTextEdit(self.tabWidgetPage2)
self.plainTextEdit.setObjectName("plainTextEdit")
self.horizontalLayout_3.addWidget(self.plainTextEdit)
self.delay_textfield = QtWidgets.QPlainTextEdit(self.tabWidgetPage2)
self.delay_textfield.setObjectName("delay_textfield")
self.horizontalLayout_3.addWidget(self.delay_textfield)
self.formLayout = QtWidgets.QFormLayout()
self.formLayout.setFieldGrowthPolicy(QtWidgets.QFormLayout.ExpandingFieldsGrow)
self.formLayout.setContentsMargins(0, -1, -1, -1)
@ -79,18 +80,18 @@ class Ui_ascii_reader(object):
self.end_lineedit = QtWidgets.QLineEdit(self.tabWidgetPage2)
self.end_lineedit.setObjectName("end_lineedit")
self.formLayout.setWidget(2, QtWidgets.QFormLayout.FieldRole, self.end_lineedit)
self.checkBox = QtWidgets.QCheckBox(self.tabWidgetPage2)
self.checkBox.setLayoutDirection(QtCore.Qt.LeftToRight)
self.checkBox.setObjectName("checkBox")
self.formLayout.setWidget(3, QtWidgets.QFormLayout.SpanningRole, self.checkBox)
self.checkBox_2 = QtWidgets.QCheckBox(self.tabWidgetPage2)
self.log_checkBox = QtWidgets.QCheckBox(self.tabWidgetPage2)
self.log_checkBox.setLayoutDirection(QtCore.Qt.LeftToRight)
self.log_checkBox.setObjectName("log_checkBox")
self.formLayout.setWidget(3, QtWidgets.QFormLayout.SpanningRole, self.log_checkBox)
self.staggered_checkBox = QtWidgets.QCheckBox(self.tabWidgetPage2)
sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Preferred)
sizePolicy.setHorizontalStretch(0)
sizePolicy.setVerticalStretch(0)
sizePolicy.setHeightForWidth(self.checkBox_2.sizePolicy().hasHeightForWidth())
self.checkBox_2.setSizePolicy(sizePolicy)
self.checkBox_2.setObjectName("checkBox_2")
self.formLayout.setWidget(4, QtWidgets.QFormLayout.LabelRole, self.checkBox_2)
sizePolicy.setHeightForWidth(self.staggered_checkBox.sizePolicy().hasHeightForWidth())
self.staggered_checkBox.setSizePolicy(sizePolicy)
self.staggered_checkBox.setObjectName("staggered_checkBox")
self.formLayout.setWidget(4, QtWidgets.QFormLayout.LabelRole, self.staggered_checkBox)
self.stag_lineEdit = QtWidgets.QLineEdit(self.tabWidgetPage2)
self.stag_lineEdit.setEnabled(True)
self.stag_lineEdit.setObjectName("stag_lineEdit")
@ -139,9 +140,9 @@ class Ui_ascii_reader(object):
self.label_5 = QtWidgets.QLabel(self.widget)
self.label_5.setObjectName("label_5")
self.horizontalLayout_4.addWidget(self.label_5)
self.lineEdit = QtWidgets.QLineEdit(self.widget)
self.lineEdit.setObjectName("lineEdit")
self.horizontalLayout_4.addWidget(self.lineEdit)
self.deltay_lineEdit = QtWidgets.QLineEdit(self.widget)
self.deltay_lineEdit.setObjectName("deltay_lineEdit")
self.horizontalLayout_4.addWidget(self.deltay_lineEdit)
self.horizontalLayout.addWidget(self.widget)
self.verticalLayout.addLayout(self.horizontalLayout)
self.horizontalLayout_2 = QtWidgets.QHBoxLayout()
@ -152,23 +153,23 @@ class Ui_ascii_reader(object):
self.horizontalLayout_2.addWidget(self.skippy_checkbox)
spacerItem3 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum)
self.horizontalLayout_2.addItem(spacerItem3)
self.radioButton = QtWidgets.QRadioButton(ascii_reader)
self.radioButton.setChecked(True)
self.radioButton.setAutoExclusive(True)
self.radioButton.setObjectName("radioButton")
self.pts_radioButton = QtWidgets.QRadioButton(ascii_reader)
self.pts_radioButton.setChecked(True)
self.pts_radioButton.setAutoExclusive(True)
self.pts_radioButton.setObjectName("pts_radioButton")
self.buttonGroup = QtWidgets.QButtonGroup(ascii_reader)
self.buttonGroup.setObjectName("buttonGroup")
self.buttonGroup.addButton(self.radioButton)
self.horizontalLayout_2.addWidget(self.radioButton)
self.radioButton_2 = QtWidgets.QRadioButton(ascii_reader)
self.radioButton_2.setAutoExclusive(True)
self.radioButton_2.setObjectName("radioButton_2")
self.buttonGroup.addButton(self.radioButton_2)
self.horizontalLayout_2.addWidget(self.radioButton_2)
self.radioButton_3 = QtWidgets.QRadioButton(ascii_reader)
self.radioButton_3.setObjectName("radioButton_3")
self.buttonGroup.addButton(self.radioButton_3)
self.horizontalLayout_2.addWidget(self.radioButton_3)
self.buttonGroup.addButton(self.pts_radioButton)
self.horizontalLayout_2.addWidget(self.pts_radioButton)
self.FID_radioButton = QtWidgets.QRadioButton(ascii_reader)
self.FID_radioButton.setAutoExclusive(True)
self.FID_radioButton.setObjectName("FID_radioButton")
self.buttonGroup.addButton(self.FID_radioButton)
self.horizontalLayout_2.addWidget(self.FID_radioButton)
self.spectrum_radioButton = QtWidgets.QRadioButton(ascii_reader)
self.spectrum_radioButton.setObjectName("spectrum_radioButton")
self.buttonGroup.addButton(self.spectrum_radioButton)
self.horizontalLayout_2.addWidget(self.spectrum_radioButton)
self.verticalLayout.addLayout(self.horizontalLayout_2)
self.buttonbox = QtWidgets.QDialogButtonBox(ascii_reader)
self.buttonbox.setStandardButtons(QtWidgets.QDialogButtonBox.Apply|QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok)
@ -187,8 +188,8 @@ class Ui_ascii_reader(object):
self.label_2.setText(_translate("ascii_reader", "Number of delays"))
self.label_3.setText(_translate("ascii_reader", "Start value"))
self.label_4.setText(_translate("ascii_reader", "End value"))
self.checkBox.setText(_translate("ascii_reader", "Logarithmic scale"))
self.checkBox_2.setText(_translate("ascii_reader", "Staggered range"))
self.log_checkBox.setText(_translate("ascii_reader", "Logarithmic scale"))
self.staggered_checkBox.setText(_translate("ascii_reader", "Staggered range"))
self.pushButton.setText(_translate("ascii_reader", "Calculate delays"))
self.tabWidget.setTabText(self.tabWidget.indexOf(self.tabWidgetPage2), _translate("ascii_reader", "Delays"))
self.x_label.setText(_translate("ascii_reader", "x"))
@ -198,6 +199,6 @@ class Ui_ascii_reader(object):
self.label_5.setText(_translate("ascii_reader", "<html><head/><body><p>Δy</p></body></html>"))
self.skippy_checkbox.setToolTip(_translate("ascii_reader", "Use selection for next files. Deletes possible delay values."))
self.skippy_checkbox.setText(_translate("ascii_reader", "Skip next dialogues?"))
self.radioButton.setText(_translate("ascii_reader", "Points"))
self.radioButton_2.setText(_translate("ascii_reader", "FID"))
self.radioButton_3.setText(_translate("ascii_reader", "Spectrum"))
self.pts_radioButton.setText(_translate("ascii_reader", "Points"))
self.FID_radioButton.setText(_translate("ascii_reader", "FID"))
self.spectrum_radioButton.setText(_translate("ascii_reader", "Spectrum"))

View File

@ -2,7 +2,8 @@ from __future__ import annotations
from typing import Any
import numpy as np
from numpy import ndarray, iscomplexobj, asarray
from pyqtgraph import PlotDataItem
from ..Qt import QtGui, QtCore, QtWidgets
from .._py.valueeditor import Ui_MaskDialog
@ -14,7 +15,7 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
itemChanged = QtCore.pyqtSignal(str, tuple, object)
itemDeleted = QtCore.pyqtSignal(str, list)
itemAdded = QtCore.pyqtSignal(str)
values_selected = QtCore.pyqtSignal(str, list, list)
values_selected = QtCore.pyqtSignal(str, str)
split_signal = QtCore.pyqtSignal(str, int)
def __init__(self, parent=None):
@ -37,8 +38,10 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
self.tableView.setContextMenuPolicy(QtCore.Qt.CustomContextMenu)
self.tableView.customContextMenuRequested.connect(self.ctx)
self.graph_combobox.currentIndexChanged.connect(self._populate_sets)
self.set_combobox.currentIndexChanged.connect(self._populate_table)
self.selection_real = PlotDataItem(x=[], y=[], symbolSize=25, symbol='x',
pen=None, symbolPen='#c9308e', symbolBrush='#c9308e')
self.selection_imag = PlotDataItem(x=[], y=[], symbolSize=25, symbol='+',
pen=None, symbolPen='#dcdcdc', symbolBrush='#dcdcdc')
def __call__(self, items: dict):
self.items = items
@ -58,7 +61,7 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
return self
@QtCore.pyqtSlot(int)
@QtCore.pyqtSlot(int, name='on_graph_combobox_currentIndexChanged')
def _populate_sets(self, idx: int):
if idx == -1:
self.graph_combobox.setCurrentIndex(0)
@ -66,6 +69,7 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
self.set_combobox.blockSignals(True)
self.set_combobox.clear()
old_figure = self.connected_figure
self.connected_figure = self.graph_combobox.currentData()
if self.items:
@ -80,13 +84,15 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
self.set_combobox.setCurrentIndex(sidx)
self.set_combobox.currentIndexChanged.emit(sidx)
@QtCore.pyqtSlot(int)
self.values_selected.emit(old_figure, self.connected_figure)
@QtCore.pyqtSlot(int, name='on_set_combobox_currentIndexChanged')
def _populate_table(self, idx):
self.selection_model.clearSelection()
self.shown_set = self.set_combobox.itemData(idx)
self.requestData.emit(self.set_combobox.itemData(idx))
def set_data(self, data: list, mask: np.ndarray):
def set_data(self, data: list, mask: ndarray):
self.selection_model.clearSelection()
self.model.loadData(data, mask)
self.spinBox.setMaximum(self.model.rowCount())
@ -193,9 +199,16 @@ class ValueEditWidget(QtWidgets.QWidget, Ui_MaskDialog):
try:
yvals.append(float(self.model.data(idx.sibling(idx.row(), 1))))
except ValueError:
yvals.append(complex(self.model.data(idx.sibling(idx.row(), 1))).real)
yvals.append(complex(self.model.data(idx.sibling(idx.row(), 1))))
self.values_selected.emit(self.connected_figure, xvals, yvals)
yvals = asarray(yvals)
if iscomplexobj(yvals):
self.selection_real.setData(x=xvals, y=yvals.real)
self.selection_imag.setData(x=xvals, y=yvals.imag)
else:
self.selection_real.setData(x=xvals, y=yvals)
self.selection_imag.setData(x=[], y=[])
@QtCore.pyqtSlot(name='on_toolButton_clicked')
def goto(self):
@ -227,7 +240,7 @@ class ValueModel(QtCore.QAbstractTableModel):
def columnCount(self, *args, **kwargs) -> int:
return len(self.headers)
def loadData(self, data: list[np.ndarray], mask: np.ndarray):
def loadData(self, data: list[ndarray], mask: ndarray):
self.beginResetModel()
self._data = []
for x, y, y_err in zip(*data):

View File

@ -5,11 +5,13 @@ import os
import uuid
from math import isnan
from pathlib import Path
from numpy import errstate, floor, log10
from pyqtgraph import GraphicsObject, getConfigOption, mkColor
from nmreval.utils.text import convert
from ..io.filedialog import FileDialog
from ..lib.pg_objects import LegendItemBlock, RegionItem
from ..Qt import QtCore, QtWidgets, QtGui
@ -524,64 +526,67 @@ class QGraphWindow(QtWidgets.QGraphicsView, Ui_GraphWindow):
str_format = imgformat.data().decode('utf-8')
filters += ';;' + str_format.upper() + ' (*.' + str_format + ')'
outfile, _ = QtWidgets.QFileDialog.getSaveFileName(self, caption='Export graphic', filter=filters,
options=QtWidgets.QFileDialog.DontConfirmOverwrite)
outfile = None
f = FileDialog(caption='Export graphic', filters=filters)
mode = f.exec()
if mode == QtWidgets.QDialog.Accepted:
outfile = f.save_file()
if outfile:
self.export(outfile)
def export(self, outfile: str):
_, suffix = os.path.splitext(outfile)
if suffix == '':
QtWidgets.QMessageBox.warning(self, 'No file extension',
'No file extension found, graphic was not saved.')
return
def export(self, outfile: Path):
suffix = outfile.suffix
if suffix == '':
QtWidgets.QMessageBox.warning(self, 'No file extension',
'No file extension found, graphic was not saved.')
return
if suffix == '.agr':
res = 0
if os.path.exists(outfile):
res = GraceMsgBox(outfile, parent=self).exec()
if res == -1:
return
if suffix == '.agr':
res = 0
if outfile.exists():
res = GraceMsgBox(outfile, parent=self).exec()
if res == -1:
return
opts = self.export_graphics()
opts = self.export_graphics()
from ..io.exporters import GraceExporter
if res == 0:
mode = 'w'
elif res == 1:
mode = 'a'
else:
mode = res-2
from ..io.exporters import GraceExporter
if res == 0:
mode = 'w'
elif res == 1:
mode = 'a'
else:
mode = res-2
GraceExporter(opts).export(outfile, mode=mode)
GraceExporter(opts).export(outfile, mode=mode)
else:
if os.path.exists(outfile):
if QtWidgets.QMessageBox.warning(self, 'Export graphic',
f'{os.path.split(outfile)[1]} already exists.\n'
f'Do you REALLY want to replace it?',
QtWidgets.QMessageBox.Yes | QtWidgets.QMessageBox.No,
QtWidgets.QMessageBox.No) == QtWidgets.QMessageBox.No:
return
bg_color = self._bgcolor
fg_color = self._fgcolor
self.set_color(foreground='k', background='w')
if suffix == '.pdf':
from ..io.exporters import PDFPrintExporter
PDFPrintExporter(self.graphic).export(outfile)
elif suffix == '.svg':
from pyqtgraph.exporters import SVGExporter
SVGExporter(self.scene).export(outfile)
else:
if os.path.exists(outfile):
if QtWidgets.QMessageBox.warning(self, 'Export graphic',
f'{os.path.split(outfile)[1]} already exists.\n'
f'Do you REALLY want to replace it?',
QtWidgets.QMessageBox.Yes | QtWidgets.QMessageBox.No,
QtWidgets.QMessageBox.No) == QtWidgets.QMessageBox.No:
return
from pyqtgraph.exporters import ImageExporter
bg_color = self._bgcolor
fg_color = self._fgcolor
self.set_color(foreground='k', background='w')
ImageExporter(self.scene).export(outfile)
if suffix == '.pdf':
from ..io.exporters import PDFPrintExporter
PDFPrintExporter(self.graphic).export(outfile)
elif suffix == '.svg':
from pyqtgraph.exporters import SVGExporter
SVGExporter(self.scene).export(outfile)
else:
from pyqtgraph.exporters import ImageExporter
ImageExporter(self.scene).export(outfile)
self.set_color(foreground=fg_color, background=bg_color)
self.set_color(foreground=fg_color, background=bg_color)
def export_graphics(self) -> dict:
dic = self.get_state()

View File

@ -18,7 +18,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
pal = QtWidgets.QApplication.instance().palette()
rgb = pal.color(pal.Base).getRgb()[:3]
rgb2 = pal.color(pal.Text).getRgb()[:3]
self.plainTextEdit_2.setStyleSheet(f'QPlainTextEdit {{ background-color: rgb{rgb} ; color: rgb{rgb2}; }}')
self.comment_textfield.setStyleSheet(f'Qdelay_textfield {{ background-color: rgb{rgb} ; color: rgb{rgb2}; }}')
self.ascii_table.horizontalHeader().setStretchLastSection(True)
self.buttonbox.button(QtWidgets.QDialogButtonBox.Apply).clicked.connect(self.apply)
@ -31,13 +31,12 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
self.ascii_table.horizontalHeader().customContextMenuRequested.connect(self.ctx_table)
def __call__(self, fname, *args, **kwargs):
for i in [self.stag_lineEdit, self.start_lineedit, self.end_lineedit,
self.plainTextEdit_2, self.ascii_table, self.delay_lineedit]:
self.comment_textfield, self.ascii_table, self.delay_lineedit]:
i.clear()
self.checkBox_2.setChecked(False)
self.checkBox.setChecked(False)
self.plainTextEdit_2.show()
self.staggered_checkBox.setChecked(False)
self.log_checkBox.setChecked(False)
self.comment_textfield.show()
self.reader = AsciiReader(fname)
self.set_gui()
@ -53,7 +52,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
def set_gui(self):
for text in self.reader.header:
self.plainTextEdit_2.appendPlainText(text)
self.comment_textfield.appendPlainText(text)
self.ascii_table.setRowCount(self.reader.shape[0])
self.ascii_table.setColumnCount(self.reader.shape[1])
@ -62,7 +61,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
if len(last_header_line) == self.reader.shape[1]:
self.ascii_table.setHorizontalHeaderLabels(last_header_line)
except IndexError:
self.plainTextEdit_2.hide()
self.comment_textfield.hide()
for i, line in enumerate(self.reader.data):
for j, field in enumerate(line):
@ -73,7 +72,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
if self.reader.delays is not None:
set_string = ''.join(str(d) + '\n' for d in self.reader.delays)
self.plainTextEdit.setPlainText(set_string)
self.delay_textfield.setPlainText(set_string)
self.delay_lineedit.setText(str(len(self.reader.delays)))
def ctx_table(self, _):
@ -92,7 +91,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
def set_columns(self, mode):
cols = ' '.join([str(s.column()+1) for s in self.ascii_table.selectionModel().selectedColumns()])
try:
lineedit = {'x': self.x_lineedit, 'y': self.y_lineedit, 'yerr': self.lineEdit}[mode]
lineedit = {'x': self.x_lineedit, 'y': self.y_lineedit, 'yerr': self.deltay_lineEdit}[mode]
lineedit.setText(cols)
except KeyError:
pass
@ -109,19 +108,19 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
@QtCore.pyqtSlot(name='on_pushButton_clicked')
def calc_delays(self):
self.reader.calc_delays(float(self.start_lineedit.text()), float(self.end_lineedit.text()),
int(self.delay_lineedit.text()), log=self.checkBox.isChecked(),
stagg=self.checkBox_2.isChecked(), stag_size=int(self.stag_lineEdit.text()))
int(self.delay_lineedit.text()), log=self.log_checkBox.isChecked(),
stagg=self.staggered_checkBox.isChecked(), stag_size=int(self.stag_lineEdit.text()))
set_string = ''.join(str(d) + '\n' for d in self.reader.delays)
self.plainTextEdit.setPlainText(set_string)
self.delay_textfield.setPlainText(set_string)
def update_header(self, text, comment='#'):
text = text.replace(comment, '').lstrip().rstrip()
self.plainTextEdit_2.appendPlainText(text)
self.comment_textfield.appendPlainText(text)
@QtCore.pyqtSlot()
def on_plainTextEdit_textChanged(self):
new_delays = str(self.plainTextEdit.toPlainText()).rstrip('\n').split('\n')
def on_delay_textfield_textChanged(self):
new_delays = str(self.delay_textfield.toPlainText()).rstrip('\n').split('\n')
self.delay_lineedit.setText(str(len(new_delays)))
if new_delays[0] == '':
new_delays = None
@ -150,7 +149,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
except ValueError:
y = None
try:
y_err = [int(t)-1 for t in str(self.lineEdit.text()).split(' ')]
y_err = [int(t)-1 for t in str(self.deltay_lineEdit.text()).split(' ')]
except ValueError:
y_err = None
@ -179,7 +178,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader):
if val == -2:
self.widget.show()
else:
self.lineEdit.setText('')
self.deltay_lineEdit.setText('')
self.widget.hide()
@QtCore.pyqtSlot(int, name='on_skippy_checkbox_stateChanged')

View File

@ -1,5 +1,7 @@
from __future__ import annotations
from pathlib import Path
from numpy import c_
from nmreval.io.graceeditor import GraceEditor
@ -13,7 +15,7 @@ class GraceExporter:
self.__agr = None
self.__opts = kwargs
def export(self, outfile: str, mode: int | str = 'w'):
def export(self, outfile: str | Path, mode: int | str = 'w'):
if mode == 'w':
self.__agr = GraceEditor()
else:

View File

@ -5,14 +5,17 @@ import pathlib
from ..Qt import QtWidgets, QtCore
class _FileDialog(QtWidgets.QFileDialog):
class FileDialog(QtWidgets.QFileDialog):
last_path = None
def __init__(self, directory=None, caption=None, filters='', parent=None):
super().__init__(parent=parent)
self.setOption(QtWidgets.QFileDialog.DontUseNativeDialog, True)
self.setWindowTitle(caption)
self.setDirectory(str(directory))
if directory is not None:
self.setDirectory(str(directory))
self.setNameFilters(filters.split(';;'))
file_tree = self.findChild(QtWidgets.QTreeView, 'treeView')
@ -29,8 +32,14 @@ class _FileDialog(QtWidgets.QFileDialog):
line.setFrameShadow(line.Sunken)
self.layout().addWidget(line, self.layout().rowCount(), 0, 1, self.layout().columnCount())
def save_file(self) -> pathlib.Path | None:
outfile = self.selectedFiles()
if outfile:
return pathlib.Path(outfile[0])
return
class OpenFileDialog(_FileDialog):
class OpenFileDialog(FileDialog):
def __init__(self, directory=None, caption=None, filters='', parent=None):
super().__init__(directory=directory, caption=caption, filters=filters, parent=parent)
@ -71,7 +80,7 @@ class OpenFileDialog(_FileDialog):
self.add_to_graph = self.comboBox.itemData(idx)
class SaveDirectoryDialog(_FileDialog):
class SaveDirectoryDialog(FileDialog):
def __init__(self, directory=None, filters='', parent=None):
super().__init__(directory=directory, filters=filters, parent=parent)
@ -115,8 +124,3 @@ class SaveDirectoryDialog(_FileDialog):
self.setNameFilters(['All files (*.*)', 'Session file (*.nmr)', 'Text file (*.dat)',
'HDF file (*.h5)', 'Grace files (*.agr)'])
def save_file(self) -> pathlib.Path | None:
outfile = self.selectedFiles()
if outfile:
return pathlib.Path(outfile[0])
return

View File

@ -101,9 +101,6 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
self.statusBar.addWidget(self.mousepos)
self.fitregion = RegionItem()
self._values_plot = PlotDataItem(x=[], y=[], symbolSize=30, symbol='x',
pen=None, symbolPen='#d526b5', symbolBrush='#d526b5')
self._fit_plot_id = None
self.setGeometry(QtWidgets.QStyle.alignedRect(QtCore.Qt.LeftToRight, QtCore.Qt.AlignCenter,
@ -530,12 +527,14 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
def _select_valuewidget(self, onoff: bool):
if onoff: # Values
self.valuewidget(self.management.graphs.tree())
self.valuewidget.connected_figure = self.management.current_graph
if self.valuewidget.connected_figure is not None:
self.management.graphs[self.valuewidget.connected_figure].add_external(self._values_plot)
current_graph = self.valuewidget.connected_figure
if current_graph is not None:
self.management.graphs[current_graph].add_external(self.valuewidget.selection_real)
self.management.graphs[current_graph].add_external(self.valuewidget.selection_imag)
else:
if self.valuewidget.connected_figure is not None:
self.management.graphs[self.valuewidget.connected_figure].remove_external(self._values_plot)
self.management.graphs[self.valuewidget.connected_figure].remove_external(self.valuewidget.selection_real)
self.management.graphs[self.valuewidget.connected_figure].remove_external(self.valuewidget.selection_imag)
def _select_integralwidget(self, onoff: bool, pick_required: bool, block_window: bool) -> tuple[bool, bool]:
if self.current_graph_widget is None:
@ -777,12 +776,12 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
data, mask = self.management.get_data(sid)
self.valuewidget.set_data(data, mask)
def plot_selected_values(self, gid: str, x: list, y: list):
self._values_plot.setData(x=x, y=y)
if gid != self.valuewidget.connected_figure and self.valuewidget.connected_figure is not None:
self.management.graphs[self.valuewidget.connected_figure].remove_external(self._values_plot)
self.management.graphs[gid].add_external(self._values_plot)
self.valuewidget.connected_figure = gid
def plot_selected_values(self, old_gid: str, new_gid: str):
for pts in (self.valuewidget.selection_real, self.valuewidget.selection_imag):
if old_gid:
self.management.graphs[old_gid].remove_external(pts)
if new_gid:
self.management.graphs[new_gid].add_external(pts)
@QtCore.pyqtSlot(object, str)
def item_to_graph(self, item, graph_id):

View File

@ -9,12 +9,13 @@ from nmreval.fit import data as fit_d
from nmreval.fit.model import Model
from nmreval.fit.result import FitResult
from nmreval.fit.minimizer import FitRoutine
from nmreval.lib.colors import TUColorsC, available_cycles
from nmreval.lib.colors import available_cycles
from nmreval.math.interpol import interpolate
from nmreval.math.logfourier import logft
from nmreval.math.smooth import smooth
from nmreval.nmr.relaxation import Relaxation
from ..Qt import QtCore, QtWidgets
from ..lib.undos import *
from ..data.container import *
from ..io.filereaders import QFileReader
@ -112,6 +113,8 @@ class UpperManagement(QtCore.QObject):
self.undostack = QtWidgets.QUndoStack()
self.deleteData.connect(self.plot_from_graph)
self._filereader = None
def __setitem__(self, key: str, value, **kwargs):
if isinstance(value, ExperimentContainer):
item = value
@ -148,7 +151,9 @@ class UpperManagement(QtCore.QObject):
return _id
def load_files(self, fname: List[str], new_plot: str = None):
ret_dic = QFileReader(manager=self).readfiles(fname)
if self._filereader is None:
self._filereader = QFileReader(manager=self)
ret_dic = self._filereader.readfiles(fname)
self.add_new_data(ret_dic, new_plot)
def _load_session(self, sets: dict, graphs: dict):
@ -1000,9 +1005,9 @@ class UpperManagement(QtCore.QObject):
if opts['axis1'] in ['t', 'invt1000']:
t_p = opts['t_param']
if len(t_p) == 2:
from ...models import Arrhenius as Func
from nmreval.models import Arrhenius as Func
else:
from ...models import VFT as Func
from nmreval.models import VFT as Func
_x = Func.func(x1, *t_p, invt=opts['axis1'])
@ -1078,7 +1083,7 @@ class UpperManagement(QtCore.QObject):
raise ValueError('No file extension detected')
if suffix == '.nmr':
from ...io.sessionwriter import NMRWriter
from nmreval.io.sessionwriter import NMRWriter
NMRWriter(self.graphs, self.data).export(path)
return

View File

@ -105,6 +105,7 @@ class AsciiReader:
if mode == 'Points':
try:
# TODO read errors correctly
for k in range(1, raw_data.shape[2]):
if raw_data.shape[2] < 3:
name = only_f

View File

@ -1,3 +1,5 @@
from __future__ import annotations
import pathlib
import re
from io import StringIO
@ -93,7 +95,7 @@ class GraceEditor:
return s
def parse(self, filename):
def parse(self, filename: str | pathlib.Path):
self.file = pathlib.Path(filename)
# we start always with the header

View File

@ -24,11 +24,20 @@
<string>Data</string>
</attribute>
<layout class="QVBoxLayout" name="verticalLayout_3">
<property name="margin">
<property name="leftMargin">
<number>0</number>
</property>
<property name="topMargin">
<number>0</number>
</property>
<property name="rightMargin">
<number>0</number>
</property>
<property name="bottomMargin">
<number>0</number>
</property>
<item>
<widget class="QPlainTextEdit" name="plainTextEdit_2">
<widget class="QPlainTextEdit" name="comment_textfield">
<property name="enabled">
<bool>false</bool>
</property>
@ -76,7 +85,7 @@
</attribute>
<layout class="QHBoxLayout" name="horizontalLayout_3">
<item>
<widget class="QPlainTextEdit" name="plainTextEdit"/>
<widget class="QPlainTextEdit" name="delay_textfield"/>
</item>
<item>
<layout class="QFormLayout" name="formLayout">
@ -123,7 +132,7 @@
<widget class="QLineEdit" name="end_lineedit"/>
</item>
<item row="3" column="0" colspan="2">
<widget class="QCheckBox" name="checkBox">
<widget class="QCheckBox" name="log_checkBox">
<property name="layoutDirection">
<enum>Qt::LeftToRight</enum>
</property>
@ -133,7 +142,7 @@
</widget>
</item>
<item row="4" column="0">
<widget class="QCheckBox" name="checkBox_2">
<widget class="QCheckBox" name="staggered_checkBox">
<property name="sizePolicy">
<sizepolicy hsizetype="Minimum" vsizetype="Preferred">
<horstretch>0</horstretch>
@ -243,7 +252,16 @@
<property name="spacing">
<number>0</number>
</property>
<property name="margin">
<property name="leftMargin">
<number>0</number>
</property>
<property name="topMargin">
<number>0</number>
</property>
<property name="rightMargin">
<number>0</number>
</property>
<property name="bottomMargin">
<number>0</number>
</property>
<item>
@ -267,7 +285,7 @@
</widget>
</item>
<item>
<widget class="QLineEdit" name="lineEdit"/>
<widget class="QLineEdit" name="deltay_lineEdit"/>
</item>
</layout>
</widget>
@ -303,7 +321,7 @@
</spacer>
</item>
<item>
<widget class="QRadioButton" name="radioButton">
<widget class="QRadioButton" name="pts_radioButton">
<property name="text">
<string>Points</string>
</property>
@ -319,7 +337,7 @@
</widget>
</item>
<item>
<widget class="QRadioButton" name="radioButton_2">
<widget class="QRadioButton" name="FID_radioButton">
<property name="text">
<string>FID</string>
</property>
@ -332,7 +350,7 @@
</widget>
</item>
<item>
<widget class="QRadioButton" name="radioButton_3">
<widget class="QRadioButton" name="spectrum_radioButton">
<property name="text">
<string>Spectrum</string>
</property>