From 09a2b61160395a58893c58cb77e60728b28e9e7d Mon Sep 17 00:00:00 2001 From: Dominik Demuth Date: Fri, 19 May 2023 13:02:58 +0200 Subject: [PATCH] read text files as BDS and DSC --- src/gui_qt/_py/asciidialog.py | 245 +++++++++-------- src/gui_qt/io/asciireader.py | 4 +- src/gui_qt/io/dscreader.py | 1 + src/nmreval/data/dsc.py | 5 +- src/nmreval/io/asciireader.py | 28 +- src/resources/_ui/asciidialog.ui | 438 +++++++++++++++++-------------- 6 files changed, 402 insertions(+), 319 deletions(-) diff --git a/src/gui_qt/_py/asciidialog.py b/src/gui_qt/_py/asciidialog.py index 66ceccf..feac8f5 100644 --- a/src/gui_qt/_py/asciidialog.py +++ b/src/gui_qt/_py/asciidialog.py @@ -2,7 +2,7 @@ # Form implementation generated from reading ui file 'src/resources/_ui/asciidialog.ui' # -# Created by: PyQt5 UI code generator 5.15.7 +# Created by: PyQt5 UI code generator 5.15.9 # # 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. @@ -28,92 +28,25 @@ class Ui_ascii_reader(object): self.header_widget.setObjectName("header_widget") self.verticalLayout_3.addWidget(self.header_widget) self.groupBox = QtWidgets.QGroupBox(self.tabWidgetPage1) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Maximum) + sizePolicy.setHorizontalStretch(0) + sizePolicy.setVerticalStretch(0) + sizePolicy.setHeightForWidth(self.groupBox.sizePolicy().hasHeightForWidth()) + self.groupBox.setSizePolicy(sizePolicy) self.groupBox.setObjectName("groupBox") - self.gridLayout = QtWidgets.QGridLayout(self.groupBox) - self.gridLayout.setContentsMargins(3, 3, 3, 3) - self.gridLayout.setHorizontalSpacing(9) - self.gridLayout.setObjectName("gridLayout") - self.FID_radioButton = QtWidgets.QRadioButton(self.groupBox) - self.FID_radioButton.setAutoExclusive(True) - self.FID_radioButton.setObjectName("FID_radioButton") - self.buttonGroup = QtWidgets.QButtonGroup(ascii_reader) - self.buttonGroup.setObjectName("buttonGroup") - self.buttonGroup.addButton(self.FID_radioButton) - self.gridLayout.addWidget(self.FID_radioButton, 2, 1, 1, 1) - self.x_lineedit = QtWidgets.QLineEdit(self.groupBox) - sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed) - sizePolicy.setHorizontalStretch(0) - sizePolicy.setVerticalStretch(0) - sizePolicy.setHeightForWidth(self.x_lineedit.sizePolicy().hasHeightForWidth()) - self.x_lineedit.setSizePolicy(sizePolicy) - self.x_lineedit.setInputMethodHints(QtCore.Qt.ImhFormattedNumbersOnly|QtCore.Qt.ImhPreferNumbers) - self.x_lineedit.setObjectName("x_lineedit") - self.gridLayout.addWidget(self.x_lineedit, 1, 3, 1, 1) - self.y_label = QtWidgets.QLabel(self.groupBox) - self.y_label.setObjectName("y_label") - self.gridLayout.addWidget(self.y_label, 2, 2, 1, 1) - self.pts_radioButton = QtWidgets.QRadioButton(self.groupBox) - self.pts_radioButton.setChecked(True) - self.pts_radioButton.setAutoExclusive(True) - self.pts_radioButton.setObjectName("pts_radioButton") - self.buttonGroup.addButton(self.pts_radioButton) - self.gridLayout.addWidget(self.pts_radioButton, 1, 1, 1, 1) - self.deltay_lineEdit = QtWidgets.QLineEdit(self.groupBox) - sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed) - sizePolicy.setHorizontalStretch(0) - sizePolicy.setVerticalStretch(0) - sizePolicy.setHeightForWidth(self.deltay_lineEdit.sizePolicy().hasHeightForWidth()) - self.deltay_lineEdit.setSizePolicy(sizePolicy) - self.deltay_lineEdit.setObjectName("deltay_lineEdit") - self.gridLayout.addWidget(self.deltay_lineEdit, 3, 3, 1, 1) - self.label_5 = QtWidgets.QLabel(self.groupBox) - self.label_5.setObjectName("label_5") - self.gridLayout.addWidget(self.label_5, 3, 2, 1, 1) + self.horizontalLayout_4 = QtWidgets.QHBoxLayout(self.groupBox) + self.horizontalLayout_4.setContentsMargins(3, 3, 3, 3) + self.horizontalLayout_4.setObjectName("horizontalLayout_4") + self.verticalLayout_6 = QtWidgets.QVBoxLayout() + self.verticalLayout_6.setObjectName("verticalLayout_6") self.column_checkBox = QtWidgets.QCheckBox(self.groupBox) - sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Fixed) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred) sizePolicy.setHorizontalStretch(0) sizePolicy.setVerticalStretch(0) sizePolicy.setHeightForWidth(self.column_checkBox.sizePolicy().hasHeightForWidth()) self.column_checkBox.setSizePolicy(sizePolicy) self.column_checkBox.setObjectName("column_checkBox") - self.gridLayout.addWidget(self.column_checkBox, 0, 0, 1, 1) - self.label = QtWidgets.QLabel(self.groupBox) - sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred) - sizePolicy.setHorizontalStretch(0) - sizePolicy.setVerticalStretch(0) - sizePolicy.setHeightForWidth(self.label.sizePolicy().hasHeightForWidth()) - self.label.setSizePolicy(sizePolicy) - self.label.setObjectName("label") - self.gridLayout.addWidget(self.label, 0, 1, 1, 1) - self.label_7 = QtWidgets.QLabel(self.groupBox) - sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred) - sizePolicy.setHorizontalStretch(0) - sizePolicy.setVerticalStretch(0) - sizePolicy.setHeightForWidth(self.label_7.sizePolicy().hasHeightForWidth()) - self.label_7.setSizePolicy(sizePolicy) - self.label_7.setObjectName("label_7") - self.gridLayout.addWidget(self.label_7, 0, 2, 1, 2) - self.y_lineedit = QtWidgets.QLineEdit(self.groupBox) - sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed) - sizePolicy.setHorizontalStretch(0) - sizePolicy.setVerticalStretch(0) - sizePolicy.setHeightForWidth(self.y_lineedit.sizePolicy().hasHeightForWidth()) - self.y_lineedit.setSizePolicy(sizePolicy) - self.y_lineedit.setInputMethodHints(QtCore.Qt.ImhFormattedNumbersOnly|QtCore.Qt.ImhPreferNumbers) - self.y_lineedit.setObjectName("y_lineedit") - self.gridLayout.addWidget(self.y_lineedit, 2, 3, 1, 1) - self.spectrum_radioButton = QtWidgets.QRadioButton(self.groupBox) - self.spectrum_radioButton.setObjectName("spectrum_radioButton") - self.buttonGroup.addButton(self.spectrum_radioButton) - self.gridLayout.addWidget(self.spectrum_radioButton, 3, 1, 1, 1) - self.x_label = QtWidgets.QLabel(self.groupBox) - sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Preferred) - sizePolicy.setHorizontalStretch(0) - sizePolicy.setVerticalStretch(0) - sizePolicy.setHeightForWidth(self.x_label.sizePolicy().hasHeightForWidth()) - self.x_label.setSizePolicy(sizePolicy) - self.x_label.setObjectName("x_label") - self.gridLayout.addWidget(self.x_label, 1, 2, 1, 1) + self.verticalLayout_6.addWidget(self.column_checkBox) self.line_spinBox = QtWidgets.QSpinBox(self.groupBox) sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.Fixed) sizePolicy.setHorizontalStretch(0) @@ -122,17 +55,114 @@ class Ui_ascii_reader(object): self.line_spinBox.setSizePolicy(sizePolicy) self.line_spinBox.setMinimum(1) self.line_spinBox.setObjectName("line_spinBox") - self.gridLayout.addWidget(self.line_spinBox, 1, 0, 1, 1) + self.verticalLayout_6.addWidget(self.line_spinBox) + self.label_6 = QtWidgets.QLabel(self.groupBox) + self.label_6.setObjectName("label_6") + self.verticalLayout_6.addWidget(self.label_6) self.preview_spinBox = QtWidgets.QSpinBox(self.groupBox) self.preview_spinBox.setMinimum(1) self.preview_spinBox.setProperty("value", 10) self.preview_spinBox.setObjectName("preview_spinBox") - self.gridLayout.addWidget(self.preview_spinBox, 3, 0, 1, 1) - self.label_6 = QtWidgets.QLabel(self.groupBox) - self.label_6.setObjectName("label_6") - self.gridLayout.addWidget(self.label_6, 2, 0, 1, 1) + self.verticalLayout_6.addWidget(self.preview_spinBox) + spacerItem = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding) + self.verticalLayout_6.addItem(spacerItem) + self.horizontalLayout_4.addLayout(self.verticalLayout_6) + self.verticalLayout_5 = QtWidgets.QVBoxLayout() + self.verticalLayout_5.setObjectName("verticalLayout_5") + self.label = QtWidgets.QLabel(self.groupBox) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred) + sizePolicy.setHorizontalStretch(0) + sizePolicy.setVerticalStretch(0) + sizePolicy.setHeightForWidth(self.label.sizePolicy().hasHeightForWidth()) + self.label.setSizePolicy(sizePolicy) + self.label.setObjectName("label") + self.verticalLayout_5.addWidget(self.label) + self.pts_radioButton = QtWidgets.QRadioButton(self.groupBox) + 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.pts_radioButton) + self.verticalLayout_5.addWidget(self.pts_radioButton) + self.dsc_radioButton = QtWidgets.QRadioButton(self.groupBox) + self.dsc_radioButton.setObjectName("dsc_radioButton") + self.buttonGroup.addButton(self.dsc_radioButton) + self.verticalLayout_5.addWidget(self.dsc_radioButton) + self.FID_radioButton = QtWidgets.QRadioButton(self.groupBox) + self.FID_radioButton.setAutoExclusive(True) + self.FID_radioButton.setObjectName("FID_radioButton") + self.buttonGroup.addButton(self.FID_radioButton) + self.verticalLayout_5.addWidget(self.FID_radioButton) + self.spectrum_radioButton = QtWidgets.QRadioButton(self.groupBox) + self.spectrum_radioButton.setObjectName("spectrum_radioButton") + self.buttonGroup.addButton(self.spectrum_radioButton) + self.verticalLayout_5.addWidget(self.spectrum_radioButton) + self.bds_radioButton = QtWidgets.QRadioButton(self.groupBox) + self.bds_radioButton.setObjectName("bds_radioButton") + self.buttonGroup.addButton(self.bds_radioButton) + self.verticalLayout_5.addWidget(self.bds_radioButton) + self.horizontalLayout_4.addLayout(self.verticalLayout_5) + self.gridLayout_2 = QtWidgets.QGridLayout() + self.gridLayout_2.setObjectName("gridLayout_2") + self.deltay_lineEdit = QtWidgets.QLineEdit(self.groupBox) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed) + sizePolicy.setHorizontalStretch(0) + sizePolicy.setVerticalStretch(0) + sizePolicy.setHeightForWidth(self.deltay_lineEdit.sizePolicy().hasHeightForWidth()) + self.deltay_lineEdit.setSizePolicy(sizePolicy) + self.deltay_lineEdit.setObjectName("deltay_lineEdit") + self.gridLayout_2.addWidget(self.deltay_lineEdit, 3, 1, 1, 1) + self.label_7 = QtWidgets.QLabel(self.groupBox) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.MinimumExpanding, QtWidgets.QSizePolicy.Preferred) + sizePolicy.setHorizontalStretch(0) + sizePolicy.setVerticalStretch(0) + sizePolicy.setHeightForWidth(self.label_7.sizePolicy().hasHeightForWidth()) + self.label_7.setSizePolicy(sizePolicy) + self.label_7.setObjectName("label_7") + self.gridLayout_2.addWidget(self.label_7, 0, 0, 1, 2) + self.y_lineedit = QtWidgets.QLineEdit(self.groupBox) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed) + sizePolicy.setHorizontalStretch(0) + sizePolicy.setVerticalStretch(0) + sizePolicy.setHeightForWidth(self.y_lineedit.sizePolicy().hasHeightForWidth()) + self.y_lineedit.setSizePolicy(sizePolicy) + self.y_lineedit.setInputMethodHints(QtCore.Qt.ImhFormattedNumbersOnly|QtCore.Qt.ImhPreferNumbers) + self.y_lineedit.setObjectName("y_lineedit") + self.gridLayout_2.addWidget(self.y_lineedit, 2, 1, 1, 1) + self.y_label = QtWidgets.QLabel(self.groupBox) + self.y_label.setObjectName("y_label") + self.gridLayout_2.addWidget(self.y_label, 2, 0, 1, 1) + self.x_lineedit = QtWidgets.QLineEdit(self.groupBox) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Fixed) + sizePolicy.setHorizontalStretch(0) + sizePolicy.setVerticalStretch(0) + sizePolicy.setHeightForWidth(self.x_lineedit.sizePolicy().hasHeightForWidth()) + self.x_lineedit.setSizePolicy(sizePolicy) + self.x_lineedit.setInputMethodHints(QtCore.Qt.ImhFormattedNumbersOnly|QtCore.Qt.ImhPreferNumbers) + self.x_lineedit.setObjectName("x_lineedit") + self.gridLayout_2.addWidget(self.x_lineedit, 1, 1, 1, 1) + self.label_5 = QtWidgets.QLabel(self.groupBox) + self.label_5.setObjectName("label_5") + self.gridLayout_2.addWidget(self.label_5, 3, 0, 1, 1) + self.x_label = QtWidgets.QLabel(self.groupBox) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Maximum, QtWidgets.QSizePolicy.Preferred) + sizePolicy.setHorizontalStretch(0) + sizePolicy.setVerticalStretch(0) + sizePolicy.setHeightForWidth(self.x_label.sizePolicy().hasHeightForWidth()) + self.x_label.setSizePolicy(sizePolicy) + self.x_label.setObjectName("x_label") + self.gridLayout_2.addWidget(self.x_label, 1, 0, 1, 1) + 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_3.addWidget(self.groupBox) self.groupBox_2 = QtWidgets.QGroupBox(self.tabWidgetPage1) + sizePolicy = QtWidgets.QSizePolicy(QtWidgets.QSizePolicy.Preferred, QtWidgets.QSizePolicy.MinimumExpanding) + sizePolicy.setHorizontalStretch(0) + sizePolicy.setVerticalStretch(0) + sizePolicy.setHeightForWidth(self.groupBox_2.sizePolicy().hasHeightForWidth()) + self.groupBox_2.setSizePolicy(sizePolicy) self.groupBox_2.setObjectName("groupBox_2") self.verticalLayout_2 = QtWidgets.QVBoxLayout(self.groupBox_2) self.verticalLayout_2.setContentsMargins(3, 3, 3, 3) @@ -215,15 +245,15 @@ class Ui_ascii_reader(object): self.pushButton.setSizePolicy(sizePolicy) self.pushButton.setObjectName("pushButton") self.formLayout.setWidget(5, QtWidgets.QFormLayout.FieldRole, self.pushButton) - spacerItem = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding) - self.formLayout.setItem(6, QtWidgets.QFormLayout.FieldRole, spacerItem) + spacerItem2 = QtWidgets.QSpacerItem(20, 40, QtWidgets.QSizePolicy.Minimum, QtWidgets.QSizePolicy.Expanding) + self.formLayout.setItem(6, QtWidgets.QFormLayout.FieldRole, spacerItem2) self.horizontalLayout_3.addLayout(self.formLayout) self.tabWidget.addTab(self.tabWidgetPage2, "") self.verticalLayout.addWidget(self.tabWidget) self.horizontalLayout = QtWidgets.QHBoxLayout() self.horizontalLayout.setObjectName("horizontalLayout") - spacerItem1 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum) - self.horizontalLayout.addItem(spacerItem1) + spacerItem3 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum) + self.horizontalLayout.addItem(spacerItem3) self.verticalLayout.addLayout(self.horizontalLayout) self.horizontalLayout_2 = QtWidgets.QHBoxLayout() self.horizontalLayout_2.setContentsMargins(-1, 0, -1, -1) @@ -231,8 +261,8 @@ class Ui_ascii_reader(object): self.skippy_checkbox = QtWidgets.QCheckBox(ascii_reader) self.skippy_checkbox.setObjectName("skippy_checkbox") self.horizontalLayout_2.addWidget(self.skippy_checkbox) - spacerItem2 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum) - self.horizontalLayout_2.addItem(spacerItem2) + spacerItem4 = QtWidgets.QSpacerItem(40, 20, QtWidgets.QSizePolicy.Expanding, QtWidgets.QSizePolicy.Minimum) + self.horizontalLayout_2.addItem(spacerItem4) self.verticalLayout.addLayout(self.horizontalLayout_2) self.buttonbox = QtWidgets.QDialogButtonBox(ascii_reader) self.buttonbox.setStandardButtons(QtWidgets.QDialogButtonBox.Apply|QtWidgets.QDialogButtonBox.Cancel|QtWidgets.QDialogButtonBox.Ok) @@ -243,16 +273,7 @@ class Ui_ascii_reader(object): self.tabWidget.setCurrentIndex(0) self.buttonbox.rejected.connect(ascii_reader.close) # type: ignore QtCore.QMetaObject.connectSlotsByName(ascii_reader) - ascii_reader.setTabOrder(self.tabWidget, self.column_checkBox) - ascii_reader.setTabOrder(self.column_checkBox, self.line_spinBox) - ascii_reader.setTabOrder(self.line_spinBox, self.preview_spinBox) - ascii_reader.setTabOrder(self.preview_spinBox, self.pts_radioButton) - ascii_reader.setTabOrder(self.pts_radioButton, self.FID_radioButton) - ascii_reader.setTabOrder(self.FID_radioButton, self.spectrum_radioButton) - ascii_reader.setTabOrder(self.spectrum_radioButton, self.x_lineedit) - ascii_reader.setTabOrder(self.x_lineedit, self.y_lineedit) - ascii_reader.setTabOrder(self.y_lineedit, self.deltay_lineEdit) - ascii_reader.setTabOrder(self.deltay_lineEdit, self.ascii_table) + ascii_reader.setTabOrder(self.tabWidget, self.ascii_table) ascii_reader.setTabOrder(self.ascii_table, self.skippy_checkbox) ascii_reader.setTabOrder(self.skippy_checkbox, self.delay_textfield) ascii_reader.setTabOrder(self.delay_textfield, self.delay_lineedit) @@ -267,19 +288,21 @@ class Ui_ascii_reader(object): _translate = QtCore.QCoreApplication.translate ascii_reader.setWindowTitle(_translate("ascii_reader", "Read text file")) self.groupBox.setTitle(_translate("ascii_reader", "Options")) - self.FID_radioButton.setText(_translate("ascii_reader", "FID")) - self.x_lineedit.setToolTip(_translate("ascii_reader", "

Specify which column is used as x-value.

")) - self.y_label.setText(_translate("ascii_reader", "y")) - self.pts_radioButton.setText(_translate("ascii_reader", "Points")) - self.label_5.setText(_translate("ascii_reader", "

Δy

")) self.column_checkBox.setText(_translate("ascii_reader", "Column name")) - self.label.setText(_translate("ascii_reader", "Import as")) - self.label_7.setText(_translate("ascii_reader", "Use columns as")) - self.y_lineedit.setToolTip(_translate("ascii_reader", "

Specify which columns are read for y-values. (\'Points\': Every number creates a new data set;\'FID\'/\'Spectrum\': Numbers at even positions are used for real parts, at odd positions for imaginary parts.)

")) - self.spectrum_radioButton.setText(_translate("ascii_reader", "Spectrum")) - self.x_label.setText(_translate("ascii_reader", "x")) self.line_spinBox.setPrefix(_translate("ascii_reader", "header line ")) self.label_6.setText(_translate("ascii_reader", "Preview length")) + self.label.setText(_translate("ascii_reader", "Import as")) + self.pts_radioButton.setText(_translate("ascii_reader", "Points")) + self.dsc_radioButton.setText(_translate("ascii_reader", "DSC")) + self.FID_radioButton.setText(_translate("ascii_reader", "FID")) + self.spectrum_radioButton.setText(_translate("ascii_reader", "Spectrum")) + self.bds_radioButton.setText(_translate("ascii_reader", "BDS")) + self.label_7.setText(_translate("ascii_reader", "Use columns as")) + self.y_lineedit.setToolTip(_translate("ascii_reader", "

Specify which columns are read for y-values. (\'Points\': Every number creates a new data set;\'FID\'/\'Spectrum\': Numbers at even positions are used for real parts, at odd positions for imaginary parts.)

")) + self.y_label.setText(_translate("ascii_reader", "y")) + self.x_lineedit.setToolTip(_translate("ascii_reader", "

Specify which column is used as x-value.

")) + self.label_5.setText(_translate("ascii_reader", "

Δy

")) + self.x_label.setText(_translate("ascii_reader", "x")) 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")) diff --git a/src/gui_qt/io/asciireader.py b/src/gui_qt/io/asciireader.py index 4a41bc0..153b069 100644 --- a/src/gui_qt/io/asciireader.py +++ b/src/gui_qt/io/asciireader.py @@ -167,7 +167,6 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader): # default row for x is the first row, it will be superseded if an integer number is given. try: x = int(self.x_lineedit.text())-1 - print(x) except ValueError: x = None @@ -199,7 +198,7 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader): col_names=col_header) self.data_read.emit(ret_dic) - except Exception as e: + except ImportError as e: _ = QtWidgets.QMessageBox.information(self, 'Reading failed', f'Import data failed with {e.args}') @@ -211,5 +210,4 @@ class QAsciiReader(QtWidgets.QDialog, Ui_ascii_reader): @QtCore.pyqtSlot(int, name='on_skippy_checkbox_stateChanged') def skip_next_dial(self, _: int): - print('skippy das buschkänguru', _) self.skip = self.skippy_checkbox.isChecked() diff --git a/src/gui_qt/io/dscreader.py b/src/gui_qt/io/dscreader.py index d83a46f..b672a78 100644 --- a/src/gui_qt/io/dscreader.py +++ b/src/gui_qt/io/dscreader.py @@ -254,6 +254,7 @@ class QDSCReader(QtWidgets.QDialog, Ui_Dialog): if filesave: new_val.savetxt(self.fname.with_name(f'{self.fname.stem} {rate}K-min {mode}.dat'.replace(' ', '_'))) + close_after = False else: self.data_read.emit([new_val]) diff --git a/src/nmreval/data/dsc.py b/src/nmreval/data/dsc.py index 69d3ba9..5f7c95d 100644 --- a/src/nmreval/data/dsc.py +++ b/src/nmreval/data/dsc.py @@ -18,12 +18,13 @@ from ..dsc.tnmh_model import TNMH class DSC(Points): def __init__(self, x, y, **kwargs): + + y = np.asarray(y).reshape(np.asarray(x).shape) + x, unique = np.unique(x, return_index=True) super().__init__(x, y[unique], **kwargs) - self.meta['is_fictive'] = False - def get_fictive_cp(self, glass: tuple[float, float], liquid: tuple[float, float]) -> ('DSC', float): min_glass, max_glass = min(glass), max(glass) min_liquid, max_liquid = min(liquid), max(liquid) diff --git a/src/nmreval/io/asciireader.py b/src/nmreval/io/asciireader.py index 04fd19e..a998cc8 100644 --- a/src/nmreval/io/asciireader.py +++ b/src/nmreval/io/asciireader.py @@ -7,6 +7,8 @@ import numpy as np from ..data.points import Points from ..data.nmr import FID, Spectrum +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]*') @@ -88,7 +90,12 @@ class AsciiReader: self.delays = staggered_range(self.delays, stepsize=stag_size) def export(self, x: int = None, y: list = None, yerr: list = None, - mode: str = 'Points', col_names=None) -> list: + mode: str = 'points', col_names=None) -> list: + + mode = mode.lower() + if mode not in ['points', 'fid', 'spectrum', 'dsc', 'bds']: + raise ValueError(f'Unknown mode {mode!r} as selected class') + if yerr is None: yerr = [] elif y is None: @@ -141,20 +148,15 @@ class AsciiReader: kwargs = {'value': value, 'filename': self.fname, 'name': filename, 'group': filename, 'y_err': None} num_y = len(y) - if mode == 'Points': - single_len = 1 - cls = Points - stepsize = 1 - elif mode == 'FID': - cls = FID + single_len = 1 + stepsize = 1 + + if mode in ['spectrum', 'fid', 'bds']: + # complex data types single_len = 2 stepsize = 2 - elif mode == 'Spectrum': - cls = Spectrum - single_len = 2 - stepsize = 2 - else: - raise ValueError(f'Unknown mode {mode}, mot ´Points´, ´FID´ or ´Spectrum´.') + + cls = {'points': Points, 'fid': FID, 'spectrum': Spectrum, 'bds': BDS, 'dsc': DSC}[mode] for j in range(1, num_y+1, stepsize): if col_names is not None: diff --git a/src/resources/_ui/asciidialog.ui b/src/resources/_ui/asciidialog.ui index cb9e338..4813898 100644 --- a/src/resources/_ui/asciidialog.ui +++ b/src/resources/_ui/asciidialog.ui @@ -41,10 +41,16 @@ + + + 0 + 0 + + Options - + 3 @@ -57,194 +63,255 @@ 3 - - 9 - - - - - FID - - - true - - - buttonGroup - - + + + + + + + 0 + 0 + + + + Column name + + + + + + + + 0 + 0 + + + + header line + + + 1 + + + + + + + Preview length + + + + + + + 1 + + + 10 + + + + + + + Qt::Vertical + + + + 20 + 40 + + + + + - - - - - 0 - 0 - - - - <html><head/><body><p>Specify which column is used as x-value.</p></body></html> - - - Qt::ImhFormattedNumbersOnly|Qt::ImhPreferNumbers - - + + + + + + + 0 + 0 + + + + Import as + + + + + + + Points + + + true + + + true + + + buttonGroup + + + + + + + DSC + + + buttonGroup + + + + + + + FID + + + true + + + buttonGroup + + + + + + + Spectrum + + + buttonGroup + + + + + + + BDS + + + buttonGroup + + + + - - - - y - - - - - - - Points - - - true - - - true - - - buttonGroup - - - - - - - - 0 - 0 - - - - - - - - <html><head/><body><p>Δy</p></body></html> - - - - - - - - 0 - 0 - - - - Column name - - - - - - - - 0 - 0 - - - - Import as - - - - - - - - 0 - 0 - - - - Use columns as - - - - - - - - 0 - 0 - - - - <html><head/><body><p>Specify which columns are read for y-values. ('Points': Every number creates a new data set;'FID'/'Spectrum': Numbers at even positions are used for real parts, at odd positions for imaginary parts.)</p></body></html> - - - Qt::ImhFormattedNumbersOnly|Qt::ImhPreferNumbers - - - - - - - Spectrum - - - buttonGroup - - - - - - - - 0 - 0 - - - - x - - - - - - - - 0 - 0 - - - - header line - - - 1 - - - - - - - 1 - - - 10 - - - - - - - Preview length - - + + + + + + + 0 + 0 + + + + + + + + + 0 + 0 + + + + Use columns as + + + + + + + + 0 + 0 + + + + <html><head/><body><p>Specify which columns are read for y-values. ('Points': Every number creates a new data set;'FID'/'Spectrum': Numbers at even positions are used for real parts, at odd positions for imaginary parts.)</p></body></html> + + + Qt::ImhFormattedNumbersOnly|Qt::ImhPreferNumbers + + + + + + + y + + + + + + + + 0 + 0 + + + + <html><head/><body><p>Specify which column is used as x-value.</p></body></html> + + + Qt::ImhFormattedNumbersOnly|Qt::ImhPreferNumbers + + + + + + + <html><head/><body><p>Δy</p></body></html> + + + + + + + + 0 + 0 + + + + x + + + + + + + Qt::Vertical + + + + 20 + 40 + + + + + + + + 0 + 0 + + Preview @@ -489,15 +556,6 @@ tabWidget - column_checkBox - line_spinBox - preview_spinBox - pts_radioButton - FID_radioButton - spectrum_radioButton - x_lineedit - y_lineedit - deltay_lineEdit ascii_table skippy_checkbox delay_textfield