def __init__(self, parent=None):
super(MassTabViewerGUI, self).__init__(parent)
self.ui = Ui_DockWidget_MassTabViewer()
self.ui.setupUi(self)
def __init__(self, parent=None):
super(MassTabViewerGUI, self).__init__(parent)
self.ui = Ui_DockWidget_MassTabViewer()
self.ui.setupUi(self)
class MassTabViewerGUI(QDockWidget):
"""
classdocs
"""
""" constructor """
def __init__(self, parent=None):
super(MassTabViewerGUI, self).__init__(parent)
self.ui = Ui_DockWidget_MassTabViewer()
self.ui.setupUi(self)
def setup(self, masstab_selector, analysis):
self.ms = masstab_selector
self.ana = analysis
self.mass_list = []
self.dir_name = ""
self.short_name = ""
self.clear_text()
self.__connect_events()
def __connect_events(self):
self.ms.masstabViewRaisedSignal.connect(self.update_columns)
self.ana.masstabRaisedSignal.connect(self.update_filename)
self.ui.pushButton_Clear.clicked.connect(self.clear_text)
self.ui.pushButton_Automatic.clicked.connect(self.automatic_fill)
self.ui.pushButton_Write.clicked.connect(self.write_file)
self.ui.doubleSpinBox_Accuracy.setValue(0.2)
self.ui.doubleSpinBox_Accuracy.valueChanged.connect(self.acc_event)
def acc_event(self):
log.debug("event from %s", self.sender())
self.acc = float(self.ui.doubleSpinBox_Accuracy.value())
def update_columns(self, mass_list):
log.debug("event from %s", self.sender())
# self.__clear_text()
self.mass_list = sorted(mass_list)
text = "\n" + " " * 24
for mass in self.mass_list:
text = text + (str(mass) + "_M").ljust(9) + \
(str(mass) + "_I").ljust(9)
text = text + "\n" + "=" * 21
self.ui.plainTextEdit_Viewer.appendPlainText(text)
def update_filename(self, filename):
log.debug("event from %s", self.sender())
self.ui.pushButton_Automatic.setEnabled(True)
self.ui.pushButton_Write.setEnabled(True)
self.short_name = os.path.basename(filename)
self.dir_name = os.path.dirname(filename)
def clear_text(self):
log.debug("event from %s", self.sender())
self.spectrum_name = ""
self.ui.plainTextEdit_Viewer.clear()
def automatic_fill(self):
log.debug("event from %s", self.sender())
if len(self.mass_list) == 0:
return
# if self.ana.pip.signal is None:
# return
x = self.ana.pip.mass
y = self.ana.pip.spectrum
self.acc_event()
p = Peaks()
dict_m, dict_i = p.masstab_peaks(x, y, self.mass_list, self.acc)
text = str(self.short_name).ljust(24)
for mass in self.mass_list:
text = text + \
"{:.4f}".format(float(dict_m[mass])).ljust(9) + \
"{:.3f}".format(float(dict_i[mass])).ljust(9)
self.ui.plainTextEdit_Viewer.appendPlainText(text)
def write_file(self):
log.debug("event from %s", self.sender())
try:
new_dir = self.dir_name.replace("DATA", "DATA" + os.sep + "MASS")
if not os.path.isdir(new_dir):
os.makedirs(new_dir)
answer = QFileDialog.getSaveFileName(self, 'MassTab File', new_dir,
"*.txt")
if (str(answer[0]).endswith(".txt")):
filename = os.path.abspath(answer[0])
else:
filename = os.path.abspath(answer[0]) + ".txt"
log.debug("Written file %s...", filename)
with open(filename, mode='w', encoding='utf_8') as file:
file.write(self.ui.plainTextEdit_Viewer.toPlainText())
except (IOError) as error:
log.error("Unable to write into: %s", error)
class MassTabViewerGUI(QDockWidget):
"""
classdocs
"""
""" constructor """
def __init__(self, parent=None):
super(MassTabViewerGUI, self).__init__(parent)
self.ui = Ui_DockWidget_MassTabViewer()
self.ui.setupUi(self)
def setup(self, masstab_selector, analysis):
self.ms = masstab_selector
self.ana = analysis
self.mass_list = []
self.dir_name = ""
self.short_name = ""
self.clear_text()
self.__connect_events()
def __connect_events(self):
self.ms.masstabViewRaisedSignal.connect(self.update_columns)
self.ana.masstabRaisedSignal.connect(self.update_filename)
self.ui.pushButton_Clear.clicked.connect(self.clear_text)
self.ui.pushButton_Automatic.clicked.connect(self.automatic_fill)
self.ui.pushButton_Write.clicked.connect(self.write_file)
self.ui.doubleSpinBox_Accuracy.setValue(0.2)
self.ui.doubleSpinBox_Accuracy.valueChanged.connect(self.acc_event)
def acc_event(self):
log.debug("event from %s", self.sender())
self.acc = float(self.ui.doubleSpinBox_Accuracy.value())
def update_columns(self, mass_list):
log.debug("event from %s", self.sender())
# self.__clear_text()
self.mass_list = sorted(mass_list)
text = "\n" + " " * 21
for mass in self.mass_list:
text = text + (str(mass) + "_M").ljust(8) + \
(str(mass) + "_I").ljust(8)
text = text + "\n" + "=" * 18
self.ui.plainTextEdit_Viewer.appendPlainText(text)
def update_filename(self, pip):
log.debug("event from %s", self.sender())
self.ui.pushButton_Automatic.setEnabled(True)
self.ui.pushButton_Write.setEnabled(True)
self.short_name = os.path.basename(pip.spectrum_name)
self.dir_name = os.path.dirname(pip.spectrum_name)
def clear_text(self):
log.debug("event from %s", self.sender())
self.spectrum_name = ""
self.ui.plainTextEdit_Viewer.clear()
def automatic_fill(self):
log.debug("event from %s", self.sender())
if len(self.mass_list) == 0:
return
# if self.ana.pip.signal is None:
# return
x = self.ana.pip.data.mass
y = self.ana.pip.data.spectrum
self.acc_event()
p = Peaks()
dict_m, dict_i = p.masstab_peaks(x, y, self.mass_list, self.acc)
text = str(self.short_name).ljust(21)
for mass in self.mass_list:
text = text + \
"{:.3f}".format(float(dict_m[mass])).ljust(8) + \
"{:.0f}".format(float(dict_i[mass])).ljust(8)
self.ui.plainTextEdit_Viewer.appendPlainText(text)
def write_file(self):
log.debug("event from %s", self.sender())
try:
answer = QFileDialog.getSaveFileName(self, 'MassTab File', self.dir_name)
filename = os.path.abspath(answer[0])
log.debug("Written file %s...", filename)
with open(filename, mode='w', encoding='utf_8') as file:
file.write(self.ui.plainTextEdit_Viewer.toPlainText())
except (IOError) as error:
log.error("Unable to write into: %s", error)
