def setupUi(self, _TableExporerDialog):
_TableExporerDialog.setObjectName(_fromUtf8("_TableExporerDialog"))
_TableExporerDialog.resize(777, 531)
self.gridLayout = QtGui.QGridLayout(_TableExporerDialog)
self.gridLayout.setObjectName(_fromUtf8("gridLayout"))
self.mz_plotter = MzPlottingWidget(_TableExporerDialog)
self.mz_plotter.setObjectName(_fromUtf8("mz_plotter"))
self.gridLayout.addWidget(self.mz_plotter, 0, 2, 3, 1)
self.eic_plotter = EicPlottingWidget(_TableExporerDialog)
self.eic_plotter.setObjectName(_fromUtf8("eic_plotter"))
self.gridLayout.addWidget(self.eic_plotter, 0, 0, 3, 1)
self.choose_spectra_widget = ChooseSpectraWidget(_TableExporerDialog)
self.choose_spectra_widget.setObjectName(
_fromUtf8("choose_spectra_widget"))
self.gridLayout.addWidget(self.choose_spectra_widget, 1, 1, 1, 1)
spacerItem = QtGui.QSpacerItem(20, 40, QtGui.QSizePolicy.Minimum,
QtGui.QSizePolicy.Expanding)
self.gridLayout.addItem(spacerItem, 2, 1, 1, 1)
self.integration_widget = IntegrationWidget(_TableExporerDialog)
self.integration_widget.setObjectName(_fromUtf8("integration_widget"))
self.gridLayout.addWidget(self.integration_widget, 0, 1, 1, 1)
self.tableView = QtGui.QTableView(_TableExporerDialog)
self.tableView.setObjectName(_fromUtf8("tableView"))
self.gridLayout.addWidget(self.tableView, 3, 0, 1, 3)
self.retranslateUi(_TableExporerDialog)
QtCore.QMetaObject.connectSlotsByName(_TableExporerDialog)
class Ui__TableExporerDialog(object):
def setupUi(self, _TableExporerDialog):
_TableExporerDialog.setObjectName(_fromUtf8("_TableExporerDialog"))
_TableExporerDialog.resize(777, 531)
self.gridLayout = QtGui.QGridLayout(_TableExporerDialog)
self.gridLayout.setObjectName(_fromUtf8("gridLayout"))
self.mz_plotter = MzPlottingWidget(_TableExporerDialog)
self.mz_plotter.setObjectName(_fromUtf8("mz_plotter"))
self.gridLayout.addWidget(self.mz_plotter, 0, 2, 3, 1)
self.eic_plotter = EicPlottingWidget(_TableExporerDialog)
self.eic_plotter.setObjectName(_fromUtf8("eic_plotter"))
self.gridLayout.addWidget(self.eic_plotter, 0, 0, 3, 1)
self.choose_spectra_widget = ChooseSpectraWidget(_TableExporerDialog)
self.choose_spectra_widget.setObjectName(_fromUtf8("choose_spectra_widget"))
self.gridLayout.addWidget(self.choose_spectra_widget, 1, 1, 1, 1)
spacerItem = QtGui.QSpacerItem(20, 40, QtGui.QSizePolicy.Minimum, QtGui.QSizePolicy.Expanding)
self.gridLayout.addItem(spacerItem, 2, 1, 1, 1)
self.integration_widget = IntegrationWidget(_TableExporerDialog)
self.integration_widget.setObjectName(_fromUtf8("integration_widget"))
self.gridLayout.addWidget(self.integration_widget, 0, 1, 1, 1)
self.tableView = QtGui.QTableView(_TableExporerDialog)
self.tableView.setObjectName(_fromUtf8("tableView"))
self.gridLayout.addWidget(self.tableView, 3, 0, 1, 3)
self.retranslateUi(_TableExporerDialog)
QtCore.QMetaObject.connectSlotsByName(_TableExporerDialog)
def retranslateUi(self, _TableExporerDialog):
_TableExporerDialog.setWindowTitle(_translate("_TableExporerDialog", "Dialog", None))
def setup_plot_widgets(self):
self.peakmap_plotter = PeakMapPlottingWidget()
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.eic_plotter = EicPlottingWidget(with_range=False)
self.mz_plotter = MzPlottingWidget()
self.peakmap_plotter.set_logarithmic_scale(1)
self.peakmap_plotter.set_gamma(self.gamma)
self.eic_plotter.set_overall_range(self.rtmin, self.rtmax)
self.mz_plotter.set_overall_range(self.mzmin, self.mzmax)
def setupPlottingWidgets(self):
self.eic_plotter = EicPlottingWidget()
self.mz_plotter = MzPlottingWidget()
self.ts_plotter = TimeSeriesPlottingWidget()
pol = QSizePolicy(QSizePolicy.Minimum, QSizePolicy.Minimum)
pol.setVerticalStretch(5)
self.eic_plotter.setSizePolicy(pol)
self.mz_plotter.setSizePolicy(pol)
self.ts_plotter.setSizePolicy(pol)
self.spec_label = QLabel("plot spectra:")
self.choose_spec = QListWidget()
self.choose_spec.setFixedHeight(90)
self.choose_spec.setSelectionMode(QAbstractItemView.ExtendedSelection)
def setup_plot_widgets(self):
self.peakmap_plotter = PeakMapPlottingWidget()
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.eic_plotter = EicPlottingWidget(with_range=False)
self.mz_plotter = MzPlottingWidget()
self.peakmap_plotter.set_logarithmic_scale(1)
self.peakmap_plotter.set_gamma(self.gamma)
self.eic_plotter.set_overall_range(self.rtmin, self.rtmax)
self.mz_plotter.set_overall_range(self.mzmin, self.mzmax)
def setupPlottingWidgets(self):
self.eic_plotter = EicPlottingWidget()
self.mz_plotter = MzPlottingWidget()
self.ts_plotter = TimeSeriesPlottingWidget()
pol = QSizePolicy(QSizePolicy.Minimum, QSizePolicy.Minimum)
pol.setVerticalStretch(5)
self.eic_plotter.setSizePolicy(pol)
self.mz_plotter.setSizePolicy(pol)
self.ts_plotter.setSizePolicy(pol)
self.spec_label = QLabel("plot spectra:")
self.choose_spec = QListWidget()
self.choose_spec.setFixedHeight(90)
self.choose_spec.setSelectionMode(QAbstractItemView.ExtendedSelection)
class TableExplorer(EmzedDialog):
def __init__(self,
tables,
offerAbortOption,
parent=None,
close_callback=None):
super(TableExplorer, self).__init__(parent)
# function which is called when window is closed. the arguments passed are boolean
# flags indication for every table if it was modified:
self.close_callback = close_callback
# Destroying the C++ object right after closing the dialog box,
# otherwise it may be garbage-collected in another QThread
# (e.g. the editor's analysis thread in Spyder), thus leading to
# a segmentation fault on UNIX or an application crash on Windows
self.setAttribute(Qt.WA_DeleteOnClose)
self.setWindowFlags(Qt.Window)
self.offerAbortOption = offerAbortOption
self.models = [
TableModel.table_model_for(table, parent=self) for table in tables
]
self.model = None
self.tableView = None
self.hadFeatures = None
self.setupWidgets()
self.setupLayout()
self.connectSignals()
sizePolicy = QSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
self.setSizePolicy(sizePolicy)
self.setSizeGripEnabled(True)
self.setupViewForTable(0)
def reject(self):
super(TableExplorer, self).reject()
modified = [len(m.actions) > 0 for m in self.models]
if self.close_callback is not None:
try:
self.close_callback(*modified)
except Exception:
import traceback
traceback.print_exc()
def keyPressEvent(self, e):
if e.key() != Qt.Key_Escape:
super(TableExplorer, self).keyPressEvent(e)
def setupWidgets(self):
self.setupMenuBar()
self.setupTableViews()
self.setupPlottingAndIntegrationWidgets()
self.setupToolWidgets()
if self.offerAbortOption:
self.setupAcceptButtons()
def setupPlottingAndIntegrationWidgets(self):
self.setupPlottingWidgets()
self.setupIntegrationWidgets()
def setupMenuBar(self):
self.menubar = QMenuBar(self)
menu = self.buildEditMenu()
self.menubar.addMenu(menu)
self.chooseTableActions = []
if len(self.models) > 1:
menu = self.buildChooseTableMenu()
self.menubar.addMenu(menu)
def buildEditMenu(self):
self.undoAction = QAction("Undo", self)
self.undoAction.setShortcut(QKeySequence("Ctrl+Z"))
self.redoAction = QAction("Redo", self)
self.redoAction.setShortcut(QKeySequence("Ctrl+Y"))
menu = QMenu("Edit", self.menubar)
menu.addAction(self.undoAction)
menu.addAction(self.redoAction)
return menu
def setupTableViews(self):
self.tableViews = []
self.filterWidgets = []
self.filters_enabled = False
for i, model in enumerate(self.models):
self.tableViews.append(self.setupTableViewFor(model))
self.filterWidgets.append(self.setupFilterWidgetFor(model))
def setupFilterWidgetFor(self, model):
t = model.table
w = FilterCriteriaWidget(self)
w.configure(t)
w.LIMITS_CHANGED.connect(model.limits_changed)
return w
def set_delegates(self):
bd = ButtonDelegate(self.tableView, self)
types = self.model.table.getColTypes()
for i, j in self.model.widgetColToDataCol.items():
if types[j] == CallBack:
self.tableView.setItemDelegateForColumn(i, bd)
def remove_delegates(self):
types = self.model.table.getColTypes()
for i, j in self.model.widgetColToDataCol.items():
if types[j] in (bool, CallBack):
self.tableView.setItemDelegateForColumn(i, None)
def setupTableViewFor(self, model):
tableView = EmzedTableView(self)
tableView.setModel(model)
tableView.horizontalHeader().setResizeMode(QHeaderView.Interactive)
tableView.horizontalHeader().setMovable(1)
pol = QSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
tableView.setSizePolicy(pol)
tableView.setVisible(False)
# before filling the table, disabling sorting accelerates table
# construction, sorting is enabled in TableView.showEvent, which is
# called after construction
tableView.setSortingEnabled(False)
return tableView
def buildChooseTableMenu(self):
menu = QMenu("Choose Table", self.menubar)
for i, model in enumerate(self.models):
action = QAction(" [%d]: %s" % (i, model.getTitle()), self)
menu.addAction(action)
self.chooseTableActions.append(action)
return menu
def setupPlottingWidgets(self):
self.eic_plotter = EicPlottingWidget()
self.mz_plotter = MzPlottingWidget()
self.ts_plotter = TimeSeriesPlottingWidget()
pol = QSizePolicy(QSizePolicy.Minimum, QSizePolicy.Minimum)
pol.setVerticalStretch(5)
self.eic_plotter.setSizePolicy(pol)
self.mz_plotter.setSizePolicy(pol)
self.ts_plotter.setSizePolicy(pol)
self.spec_label = QLabel("plot spectra:")
self.choose_spec = QListWidget()
self.choose_spec.setFixedHeight(90)
self.choose_spec.setSelectionMode(QAbstractItemView.ExtendedSelection)
def setupIntegrationWidgets(self):
self.integration_widget = IntegrationWidget(self)
names = [name for (name, __) in algorithm_configs.peakIntegrators]
self.integration_widget.set_integration_methods(names)
def setupToolWidgets(self):
self.chooseGroubLabel = QLabel("Expand selection:", parent=self)
self.chooseGroupColumn = QComboBox(parent=self)
self.chooseGroupColumn.setMinimumWidth(150)
self.choose_visible_columns_button = button("Visible columns")
# we introduced this invisible button else qt makes the filter_on_button always
# active on mac osx, that means that as soon we press enter in one of the filter
# widgets the button is triggered !
# problem does not occur on windows.
# self.dummy = QPushButton()
# self.dummy.setVisible(False)
self.filter_on_button = button("Filter rows")
self.sort_label = QLabel("sort by:", parent=self)
self.sort_fields_widgets = []
self.sort_order_widgets = []
for i in range(3):
w = QComboBox(parent=self)
w.setMinimumWidth(100)
self.sort_fields_widgets.append(w)
w = QComboBox(parent=self)
w.addItems(["asc", "desc"])
w.setMaximumWidth(60)
self.sort_order_widgets.append(w)
self.restrict_to_filtered_button = button("Restrict to filter result")
self.remove_filtered_button = button("Remove filter result")
self.export_table_button = button("Export table")
self.restrict_to_filtered_button.setEnabled(False)
self.remove_filtered_button.setEnabled(False)
def setupAcceptButtons(self):
self.okButton = button("Ok", parent=self)
self.abortButton = button("Abort", parent=self)
self.result = 1 # default for closing
def create_additional_widgets(self, vsplitter):
# so that derived classes can add widgets above table !
return None
def connect_additional_widgets(self, model):
pass
def setupLayout(self):
vlayout = QVBoxLayout()
self.setLayout(vlayout)
vsplitter = QSplitter()
vsplitter.setOrientation(Qt.Vertical)
vsplitter.setOpaqueResize(False)
vsplitter.addWidget(self.menubar) # 0
vsplitter.addWidget(self.layoutPlottingAndIntegrationWidgets()) # 1
extra = self.create_additional_widgets(vsplitter)
if extra is not None:
vsplitter.addWidget(extra)
self.table_view_container = QStackedWidget(self)
for view in self.tableViews:
self.table_view_container.addWidget(view)
vsplitter.addWidget(self.table_view_container) # 2
vsplitter.addWidget(self.layoutToolWidgets()) # 3
# self.filter_widgets_box = QScrollArea(self)
self.filter_widgets_container = QStackedWidget(self)
for w in self.filterWidgets:
self.filter_widgets_container.addWidget(w)
self.filter_widgets_container.setVisible(False)
self.filter_widgets_container.setFrameStyle(QFrame.Plain)
vsplitter.addWidget(self.filter_widgets_container)
di = 1 if extra is not None else 0
vsplitter.setStretchFactor(0, 1.0) # menubar
vsplitter.setStretchFactor(1, 3.0) # plots + integration
# vsplitter.setStretchFactor(2, 1.0) # ms2 spec chooser
vsplitter.setStretchFactor(2 + di, 5.0) # table
vsplitter.setStretchFactor(3 + di, 1.0) # tools
vsplitter.setStretchFactor(4 + di, 2.0) # filters
vlayout.addWidget(vsplitter)
if self.offerAbortOption:
vlayout.addLayout(self.layoutButtons())
def layoutButtons(self):
hbox = QHBoxLayout()
hbox.addWidget(self.abortButton)
hbox.setAlignment(self.abortButton, Qt.AlignVCenter)
hbox.addWidget(self.okButton)
hbox.setAlignment(self.okButton, Qt.AlignVCenter)
return hbox
def enable_integration_widgets(self, flag=True):
self.integration_widget.setEnabled(flag)
def enable_spec_chooser_widgets(self, flag=True):
self.spec_label.setEnabled(flag)
self.choose_spec.setEnabled(flag)
def layoutPlottingAndIntegrationWidgets(self):
hsplitter = QSplitter()
hsplitter.setOpaqueResize(False)
middleLayout = QVBoxLayout()
middleLayout.setSpacing(5)
middleLayout.setMargin(5)
middleLayout.addWidget(self.integration_widget)
middleLayout.addStretch()
middleLayout.addWidget(self.spec_label)
middleLayout.addWidget(self.choose_spec)
middleLayout.addStretch()
middleLayout.addStretch()
self.middleFrame = QFrame()
self.middleFrame.setLayout(middleLayout)
self.middleFrame.setMaximumWidth(250)
plot_widgets = self.setup_plot_widgets([
self.ts_plotter, self.eic_plotter, self.middleFrame,
self.mz_plotter
])
for widget in plot_widgets:
hsplitter.addWidget(widget)
return hsplitter
def setup_plot_widgets(self, widgets):
return widgets
def layoutToolWidgets(self):
frame = QFrame(parent=self)
layout = QGridLayout()
row = 0
column = 0
layout.addWidget(self.chooseGroubLabel,
row,
column,
alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.chooseGroupColumn,
row,
column,
alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.choose_visible_columns_button,
row,
column,
alignment=Qt.AlignLeft)
h_layout = QHBoxLayout()
h_layout.addWidget(self.sort_label)
for sort_field_w, sort_order_w in zip(self.sort_fields_widgets,
self.sort_order_widgets):
h_layout.addWidget(sort_field_w)
h_layout.addWidget(sort_order_w)
column += 1
layout.addLayout(h_layout, row, column, alignment=Qt.AlignLeft)
row = 1
column = 0
layout.addWidget(self.filter_on_button,
row,
column,
alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.restrict_to_filtered_button,
row,
column,
alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.remove_filtered_button,
row,
column,
alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.export_table_button,
row,
column,
alignment=Qt.AlignLeft)
column += 1
# layout.addWidget(self.dummy, row, column, alignment=Qt.AlignLeft)
layout.setColumnStretch(column, 1)
frame.setLayout(layout)
return frame
def set_window_title(self, n_rows_total, n_rows_visible):
model_title = self.model.getTitle()
title = "%d out of %d rows from %s" % (n_rows_visible, n_rows_total,
model_title)
self.setWindowTitle(title)
def setup_model_dependent_look(self):
hasFeatures = self.model.hasFeatures()
isIntegrated = self.model.isIntegrated()
hasEIC = self.model.hasEIC()
hasTimeSeries = self.model.hasTimeSeries()
hasSpectra = self.model.hasSpectra()
self.eic_only_mode = hasEIC and not hasFeatures # includes: not isIntegrated !
self.has_chromatograms = hasFeatures
self.allow_integration = isIntegrated and self.model.implements(
"integrate")
self.has_time_series = hasTimeSeries
self.has_spectra = hasSpectra
self.eic_plotter.setVisible(self.eic_only_mode
or self.has_chromatograms)
self.eic_plotter.enable_range(not self.eic_only_mode)
self.mz_plotter.setVisible(self.has_chromatograms or self.has_spectra)
self.ts_plotter.setVisible(self.has_time_series)
self.enable_integration_widgets(self.allow_integration)
self.enable_spec_chooser_widgets(self.has_spectra
or self.has_chromatograms)
self.enable_integration_widgets(self.allow_integration)
self.enable_spec_chooser_widgets(self.has_chromatograms
or self.has_spectra)
self.middleFrame.setVisible(self.allow_integration or self.has_spectra)
self.choose_spec.clear()
@protect_signal_handler
def handleClick(self, index, model):
content = model.data(index)
if isUrl(content):
QDesktopServices.openUrl(QUrl(content))
@protect_signal_handler
def cell_pressed(self, index):
self.tableView.selectRow(index.row())
self.tableView.verticalHeader().sectionClicked.emit(index.row())
def connectSignals(self):
for i, action in enumerate(self.chooseTableActions):
handler = lambda i=i: self.setupViewForTable(i)
handler = protect_signal_handler(handler)
self.menubar.connect(action, SIGNAL("triggered()"), handler)
for view in self.tableViews:
vh = view.verticalHeader()
vh.setContextMenuPolicy(Qt.CustomContextMenu)
vh.customContextMenuRequested.connect(
self.openContextMenuVerticalHeader)
vh.sectionClicked.connect(self.rowClicked)
hh = view.horizontalHeader()
hh.setContextMenuPolicy(Qt.CustomContextMenu)
hh.customContextMenuRequested.connect(
self.openContextMenuHorizontalHeader)
model = view.model()
handler = lambda idx, model=model: self.handleClick(idx, model)
handler = protect_signal_handler(handler)
model.ACTION_LIST_CHANGED.connect(self.updateMenubar)
view.clicked.connect(handler)
view.doubleClicked.connect(self.handle_double_click)
view.pressed.connect(self.cell_pressed)
self.connect_additional_widgets(model)
self.integration_widget.TRIGGER_INTEGRATION.connect(self.do_integrate)
self.choose_spec.itemSelectionChanged.connect(self.spectrumChosen)
if self.offerAbortOption:
self.connect(self.okButton, SIGNAL("clicked()"), self.ok)
self.connect(self.abortButton, SIGNAL("clicked()"), self.abort)
self.choose_visible_columns_button.clicked.connect(
self.choose_visible_columns)
self.filter_on_button.clicked.connect(self.filter_toggle)
self.remove_filtered_button.clicked.connect(self.remove_filtered)
self.restrict_to_filtered_button.clicked.connect(
self.restrict_to_filtered)
self.export_table_button.clicked.connect(self.export_table)
for sort_field_w in self.sort_fields_widgets:
sort_field_w.currentIndexChanged.connect(self.sort_fields_changed)
for sort_order_w in self.sort_order_widgets:
sort_order_w.currentIndexChanged.connect(self.sort_fields_changed)
self.eic_plotter.SELECTED_RANGE_CHANGED.connect(
self.eic_selection_changed)
@protect_signal_handler
def sort_fields_changed(self, __):
sort_data = [(str(f0.currentText()), str(f1.currentText())) for f0, f1
in zip(self.sort_fields_widgets, self.sort_order_widgets)]
sort_data = [(f0, f1) for (f0, f1) in sort_data
if f0 != "-" and f0 != ""]
if sort_data:
self.model.sort_by(sort_data)
main_name, main_order = sort_data[0]
idx = self.model.widget_col(main_name)
if idx is not None:
header = self.tableView.horizontalHeader()
header.blockSignals(True)
header.setSortIndicator(
idx, Qt.AscendingOrder
if main_order.startswith("asc") else Qt.DescendingOrder)
header.blockSignals(False)
@protect_signal_handler
def filter_toggle(self, *a):
self.filters_enabled = not self.filters_enabled
for model in self.models:
model.setFiltersEnabled(self.filters_enabled)
self.filter_widgets_container.setVisible(self.filters_enabled)
self.restrict_to_filtered_button.setEnabled(self.filters_enabled)
self.remove_filtered_button.setEnabled(self.filters_enabled)
if self.filters_enabled:
# we add spaces becaus on mac the text field cut when rendered
self.filter_on_button.setText("Disable row filtering")
self.export_table_button.setText("Export filtered")
else:
# we add spaces becaus on mac the text field cut when rendered
self.filter_on_button.setText("Enable row filtering")
self.export_table_button.setText("Export table")
@protect_signal_handler
def choose_visible_columns(self, *a):
self.remove_delegates()
col_names, is_currently_visible = self.model.columnames_with_visibility(
)
if not col_names:
return
# zip, sort and unzip then:
col_names, is_currently_visible = zip(
*sorted(zip(col_names, is_currently_visible)))
dlg = ColumnMultiSelectDialog(col_names, is_currently_visible)
dlg.exec_()
if dlg.column_settings is None:
return
hide_names = [
n for (n, col_idx, visible) in dlg.column_settings if not visible
]
self.update_hidden_columns(hide_names)
self.model.save_preset_hidden_column_names()
def update_hidden_columns(self, hidden_names):
self.model.hide_columns(hidden_names)
self.set_delegates()
self.setup_choose_group_column_widget(hidden_names)
self.setup_sort_fields(hidden_names)
self.current_filter_widget.hide_filters(hidden_names)
self.model.table.meta["hide_in_explorer"] = hidden_names
self.setup_sort_fields(hidden_names)
@protect_signal_handler
def remove_filtered(self, *a):
self.model.remove_filtered()
@protect_signal_handler
def restrict_to_filtered(self, *a):
self.model.restrict_to_filtered()
@protect_signal_handler
def export_table(self, *a):
path = askForSave(extensions=["csv"])
if path is not None:
t = self.model.extract_visible_table()
if os.path.exists(path):
os.remove(path)
t.storeCSV(path, as_printed=True)
@protect_signal_handler
def handle_double_click(self, idx):
row, col = self.model.table_index(idx)
cell_value = self.model.cell_value(idx)
extra_args = dict()
if isinstance(cell_value, PeakMap):
col_name = self.model.column_name(idx)
if "__" in col_name:
prefix, __, __ = col_name.partition("__")
full_prefix = prefix + "__"
else:
full_prefix = ""
for n in "rtmin", "rtmax", "mzmin", "mzmax", "mz":
full_n = full_prefix + n
value = self.model.table.getValue(self.model.table.rows[row],
full_n, None)
extra_args[n] = value
if extra_args["mzmin"] is None and extra_args["mzmax"] is None:
mz = extra_args["mz"]
if mz is not None:
mzmin = mz - 10 * 1e-6 * mz # -10 ppm
mzmax = mz + 10 * 1e-6 * mz # +19 ppm
extra_args["mzmin"] = mzmin
extra_args["mzmax"] = mzmax
del extra_args["mz"]
insp = inspector(cell_value, modal=False, parent=self, **extra_args)
if insp is not None:
insp()
def disconnectModelSignals(self):
self.disconnect(
self.model,
SIGNAL("dataChanged(QModelIndex,QModelIndex,PyQt_PyObject)"),
self.dataChanged)
self.model.modelReset.disconnect(self.handle_model_reset)
self.menubar.disconnect(
self.undoAction, SIGNAL("triggered()"),
protect_signal_handler(self.model.undoLastAction))
self.menubar.disconnect(
self.redoAction, SIGNAL("triggered()"),
protect_signal_handler(self.model.redoLastAction))
def connectModelSignals(self):
self.connect(
self.model,
SIGNAL("dataChanged(QModelIndex,QModelIndex,PyQt_PyObject)"),
self.dataChanged)
self.model.modelReset.connect(self.handle_model_reset)
self.menubar.connect(self.undoAction, SIGNAL("triggered()"),
protect_signal_handler(self.model.undoLastAction))
self.menubar.connect(self.redoAction, SIGNAL("triggered()"),
protect_signal_handler(self.model.redoLastAction))
self.model.VISIBLE_ROWS_CHANGE.connect(self.set_window_title)
self.model.SORT_TRIGGERED.connect(self.sort_by_click_in_header)
@protect_signal_handler
def sort_by_click_in_header(self, name, is_ascending):
for f in self.sort_fields_widgets:
f.blockSignals(True)
for f in self.sort_order_widgets:
f.blockSignals(True)
main_widget = self.sort_fields_widgets[0]
idx = main_widget.findText(name)
main_widget.setCurrentIndex(idx)
self.sort_order_widgets[0].setCurrentIndex(bool(is_ascending))
for i in range(1, len(self.sort_fields_widgets)):
self.sort_fields_widgets[i].setCurrentIndex(0)
for f in self.sort_fields_widgets:
f.blockSignals(False)
for f in self.sort_order_widgets:
f.blockSignals(False)
def group_column_selected(self, idx):
self.tableView.setSelectionMode(QAbstractItemView.ExtendedSelection)
def updateMenubar(self, undoInfo, redoInfo):
self.undoAction.setEnabled(undoInfo is not None)
self.redoAction.setEnabled(redoInfo is not None)
if undoInfo:
self.undoAction.setText("Undo: %s" % undoInfo)
if redoInfo:
self.redoAction.setText("Redo: %s" % redoInfo)
def setupViewForTable(self, i):
for j, action in enumerate(self.chooseTableActions):
txt = unicode(action.text()) # QString -> Python unicode
if txt.startswith("*"):
txt = " " + txt[1:]
action.setText(txt)
if i == j:
action.setText("*" + txt[1:])
self.table_view_container.setCurrentIndex(i)
self.filter_widgets_container.setCurrentIndex(i)
if self.model is not None:
self.disconnectModelSignals()
self.model = self.models[i]
self.current_filter_widget = self.filterWidgets[i]
self.tableView = self.tableViews[i]
hidden = self.model.table.meta.get("hide_in_explorer", ())
self.update_hidden_columns(hidden)
try:
shown = self.model.load_preset_hidden_column_names()
hidden = list(set(self.model.table.getColNames()) - shown)
self.update_hidden_columns(hidden)
except Exception:
pass
self.setup_model_dependent_look()
if self.model.implements("setNonEditable"):
self.model.setNonEditable("method",
["area", "rmse", "method", "params"])
if self.model.implements("addNonEditable"):
for col_name in self.model.table.getColNames():
t = self.model.table.getColType(col_name)
if t in (list, tuple, object, dict,
set) or t is None or has_inspector(t):
self.model.addNonEditable(col_name)
mod = self.model
postfixes = mod.table.supportedPostfixes(mod.integrationColNames())
self.integration_widget.set_postfixes(postfixes)
self.setup_choose_group_column_widget(hidden)
self.setup_sort_fields(hidden)
self.connectModelSignals()
self.updateMenubar(None, None)
self.set_window_title(len(self.model.table), len(self.model.table))
def setup_choose_group_column_widget(self, hidden_names):
before = None
if self.chooseGroupColumn.currentIndex() >= 0:
before = str(self.chooseGroupColumn.currentText())
self.chooseGroupColumn.clear()
t = self.model.table
candidates = [
n for (n, f) in zip(t.getColNames(), t.getColFormats())
if f is not None
]
visible_names = [n for n in candidates if n not in hidden_names]
all_choices = ["- manual multi select -"] + sorted(visible_names)
self.chooseGroupColumn.addItems(all_choices)
if before is not None and before in all_choices:
idx = all_choices.index(before)
self.chooseGroupColumn.setCurrentIndex(idx)
def setup_sort_fields(self, hidden_names):
before = []
for field in self.sort_fields_widgets:
if field.currentIndex() >= 0:
before.append(str(field.currentText()))
else:
before.append(None)
t = self.model.table
candidates = [
n for (n, f) in zip(t.getColNames(), t.getColFormats())
if f is not None
]
visible_names = [n for n in candidates if n not in hidden_names]
all_choices = ["-"] + visible_names
for field in self.sort_fields_widgets:
field.clear()
field.addItems(all_choices)
for choice_before, field in zip(before, self.sort_fields_widgets):
if choice_before is not None and choice_before in all_choices:
idx = all_choices.index(choice_before)
field.setCurrentIndex(idx)
@protect_signal_handler
def handle_model_reset(self):
for name in self.model.table.getColNames():
self.current_filter_widget.update(name)
def reset_sort_fields(self):
for field in self.sort_fields_widgets:
field.setCurrentIndex(0)
@protect_signal_handler
def dataChanged(self, ix1, ix2, src):
minr, maxr = sorted((ix1.row(), ix2.row()))
minc, maxc = sorted((ix1.column(), ix2.column()))
for r in range(minr, maxr + 1):
for c in range(minc, maxc + 1):
idx = self.model.createIndex(r, c)
self.tableView.update(idx)
minc = self.model.widgetColToDataCol[minc]
maxc = self.model.widgetColToDataCol[maxc]
minr = self.model.widgetRowToDataRow[minr]
maxr = self.model.widgetRowToDataRow[maxr]
for name in self.model.table.getColNames()[minc:maxc + 1]:
self.current_filter_widget.update(name)
if self.has_chromatograms:
# minr, maxr = sorted((ix1.row(), ix2.row()))
if any(minr <= index <= maxr
for index in self.model.selected_data_rows):
if isinstance(src, IntegrateAction):
self.plot_chromatograms(reset=False)
else:
self.plot_chromatograms(reset=True)
self.reset_sort_fields()
@protect_signal_handler
def abort(self):
self.result = 1
self.close()
@protect_signal_handler
def ok(self):
self.result = 0
self.close()
@protect_signal_handler
def openContextMenuHorizontalHeader(self, point):
widget_col_index = self.tableView.horizontalHeader().logicalIndexAt(
point)
data_col_index = self.model.widgetColToDataCol[widget_col_index]
if self.model.column_type(widget_col_index) is bool:
menu = QMenu()
check_all_action = menu.addAction("check all")
uncheck_all_action = menu.addAction("uncheck all")
appearAt = self.tableView.horizontalHeader().mapToGlobal(point)
chosen = menu.exec_(appearAt)
if chosen == check_all_action:
self.run_blocked(self.model.set_all, (widget_col_index, True))
if chosen == uncheck_all_action:
self.run_blocked(self.model.set_all, (widget_col_index, False))
def run_blocked(self, function, args):
@pyqtSlot()
def doit():
self.setEnabled(False)
self.setCursor(Qt.WaitCursor)
try:
function(*args)
except Exception:
pass
self.setEnabled(True)
self.setCursor(Qt.ArrowCursor)
print(QTimer.singleShot(0, doit))
@protect_signal_handler
def openContextMenuVerticalHeader(self, point):
index = self.tableView.verticalHeader().logicalIndexAt(point)
menu = QMenu()
if self.model.implements("cloneRow"):
cloneAction = menu.addAction("Clone row")
else:
cloneAction = None
if self.model.implements("removeRows"):
removeAction = menu.addAction("Delete row")
else:
removeAction = None
undoInfo = self.model.infoLastAction()
redoInfo = self.model.infoRedoAction()
if undoInfo is not None:
undoAction = menu.addAction("Undo %s" % undoInfo)
if redoInfo is not None:
redoAction = menu.addAction("Redo %s" % redoInfo)
appearAt = self.tableView.verticalHeader().mapToGlobal(point)
choosenAction = menu.exec_(appearAt)
if choosenAction == removeAction:
self.model.removeRows([index])
elif choosenAction == cloneAction:
self.model.cloneRow(index)
elif undoInfo is not None and choosenAction == undoAction:
self.model.undoLastAction()
elif redoInfo is not None and choosenAction == redoAction:
self.model.redoLastAction()
@protect_signal_handler
def do_integrate(self, method, postfix):
# QString -> Python str:
method = str(method)
postfix = str(postfix)
rtmin, rtmax = self.eic_plotter.get_range_selection_limits()
for data_row_idx in self.model.selected_data_rows:
self.model.integrate(data_row_idx, postfix, method, rtmin, rtmax)
@protect_signal_handler
def rowClicked(self, widget_row_idx):
self.select_rows_in_group(widget_row_idx)
self.setup_spectrum_chooser()
if self.eic_only_mode:
self.plot_eics_only()
if self.has_chromatograms:
self.plot_chromatograms()
if self.has_time_series:
self.plot_time_series()
def select_rows_in_group(self, widget_row_idx):
group_by_idx = self.chooseGroupColumn.currentIndex()
# first entry is "manual selection"
if group_by_idx == 0:
to_select = [
idx.row()
for idx in self.tableView.selectionModel().selectedRows()
]
self.model.set_selected_data_rows(to_select)
return
col_name = str(self.chooseGroupColumn.currentText())
to_select = self.model.rows_with_same_value(col_name, widget_row_idx)
N = 200
if len(to_select) > N:
QMessageBox.warning(
self, "Warning", "multiselect would mark %d lines. "
"reduced number of lines to %d" % (len(to_select), N))
to_select = to_select[:N]
# expand selection
mode_before = self.tableView.selectionMode()
scrollbar_before = self.tableView.verticalScrollBar().value()
self.tableView.setSelectionMode(QAbstractItemView.MultiSelection)
for i in to_select:
if i != widget_row_idx: # avoid "double click !" wich de-selects current row
self.tableView.selectRow(i)
self.tableView.setSelectionMode(mode_before)
self.tableView.verticalScrollBar().setValue(scrollbar_before)
self.model.set_selected_data_rows(to_select)
def setup_spectrum_chooser(self):
self.choose_spec.clear()
spectra = []
labels = []
if self.has_chromatograms:
labels.append("spectra from peak")
spectra.append(
None
) # place holder as ms1 spec is computed from peakmap on demand !
self.first_spec_in_choser_is_ms1 = True
else:
self.first_spec_in_choser_is_ms1 = False
num_extra_spectra = 0
for idx in self.model.selected_data_rows:
pf, s = self.model.getMS2Spectra(idx)
for pfi, si in zip(pf, s):
if si is not None:
for sii in si:
label = "spectra%s rt=%.2fm" % (pfi, sii.rt / 60.0)
if sii.precursors:
mz, I = sii.precursors[0]
label += " pre=(%.5f, %.2e)" % (mz, I)
labels.append(label)
spectra.append(sii)
num_extra_spectra += 1
self.spectra_listed_in_chooser = spectra
self.choose_spec.setVisible(len(spectra) > 0)
for label in labels:
self.choose_spec.addItem(label)
if self.first_spec_in_choser_is_ms1:
self.choose_spec.setCurrentRow(0)
else:
self.choose_spec.selectAll()
def plot_time_series(self):
rtmin, rtmax, time_series = time_series_curves(self.model)
ts_configs = configsForTimeSeries(time_series)
self.ts_plotter.del_all_items()
self.ts_plotter.reset()
self.ts_plotter.add_time_series(time_series, ts_configs)
self.ts_plotter.replot()
def plot_eics_only(self):
if self.eic_only_mode:
rtmin, rtmax, curves = eic_curves(self.model)
configs = configsForEics(curves)
self.eic_plotter.reset()
self.eic_plotter.add_eics(curves, configs=configs, labels=None)
self.eic_plotter.replot()
def plot_chromatograms(self, reset=True):
self.eic_plotter.del_all_items()
rtmin, rtmax, mzmin, mzmax, curves, fit_shapes = chromatograms(
self.model, self.allow_integration)
configs = configsForEics(curves)
self.eic_plotter.add_eics(curves, configs=configs)
for (chromo, baseline), config in zip(fit_shapes, configs):
if chromo is None:
continue
rts, iis = chromo
if baseline is None:
baseline = 0.0
eic_color = config["color"]
color = turn_light(eic_color)
self.eic_plotter.add_eic_filled(rts, iis, baseline, color)
# allrts are sorted !
if rtmin is not None and rtmax is not None:
w = rtmax - rtmin
if w == 0:
w = 30.0 # seconds
if reset:
self.eic_plotter.set_rt_axis_limits(rtmin - w, rtmax + w)
self.eic_plotter.set_range_selection_limits(rtmin, rtmax)
self.eic_plotter.reset_intensity_limits(fac=1.1,
rtmin=rtmin - w,
rtmax=rtmax + w)
self.eic_plotter.replot()
@protect_signal_handler
def spectrumChosen(self):
spectra = [
self.spectra_listed_in_chooser[idx.row()]
for idx in self.choose_spec.selectedIndexes()
]
labels = [
str(item.data(0).toString())
for item in self.choose_spec.selectedItems()
]
ms2_data = [(l, s) for (l, s) in zip(labels, spectra)
if s is not None and l is not None]
if ms2_data:
labels, spectra = zip(
*ms2_data) # unzip, works only if ms2_data is not empty
self.mz_plotter.plot_spectra([s.peaks for s in spectra], labels)
self.mz_plotter.resetAxes()
self.mz_plotter.replot()
else:
self.plot_ms1_spectra()
def eic_selection_changed(self, rtmin, rtmax):
if not self.first_spec_in_choser_is_ms1:
return
self.choose_spec.setCurrentRow(0)
peakmaps = [
pm for idx in self.model.selected_data_rows
for pm in self.model.getPeakmaps(idx)
]
windows = []
for idx in self.model.selected_data_rows:
for (__, __, mzmin, mzmax) in self.model.getEICWindows(idx):
window = (rtmin, rtmax, mzmin, mzmax)
windows.append(window)
self.plot_spectra_from_peakmaps(peakmaps, windows)
def plot_ms1_spectra(self):
peakmaps = [
pm for idx in self.model.selected_data_rows
for pm in self.model.getPeakmaps(idx)
]
windows = [
w for idx in self.model.selected_data_rows
for w in self.model.getEICWindows(idx)
]
self.plot_spectra_from_peakmaps(peakmaps, windows)
def plot_ms2_spectra(self, spectra, labels):
self.mz_plotter.plot_spectra([s.peaks for s in spectra], labels)
self.mz_plotter.resetAxes()
self.mz_plotter.replot()
def plot_spectra_from_peakmaps(self, peakmaps, windows):
if not peakmaps or not windows:
return
data = []
mzs = []
for (rtmin, rtmax, mzmin, mzmax), pm in zip(windows, peakmaps):
mzs.append(mzmin)
mzs.append(mzmax)
data.append((pm, rtmin, rtmax, mzmin, mzmax, 3000))
mzmin = min(mzs)
mzmax = max(mzs)
configs = configsForSpectra(len(peakmaps))
postfixes = self.model.table.supportedPostfixes(
self.model.eicColNames())
titles = map(repr, postfixes)
self.mz_plotter.plot_peakmaps(data, configs,
titles if len(titles) > 1 else None)
self.mz_plotter.reset_mz_limits(mzmin, mzmax)
self.mz_plotter.replot()
class PeakMapExplorer(EmzedDialog):
def __init__(self, ok_rows_container=[], parent=None):
super(PeakMapExplorer, self).__init__(parent)
self.setWindowFlags(Qt.Window)
# Destroying the C++ object right after closing the dialog box,
# otherwise it may be garbage-collected in another QThread
# (e.g. the editor's analysis thread in Spyder), thus leading to
# a segmentation fault on UNIX or an application crash on Windows
self.ok_rows = ok_rows_container
self.setAttribute(Qt.WA_DeleteOnClose)
self.setWindowFlags(Qt.Window)
self.gamma = 3.0
self.last_used_directory_for_load = None
self.last_used_directory_for_save = None
self.history = History()
def keyPressEvent(self, e):
# avoid closing of dialog when Esc key pressed:
if e.key() != Qt.Key_Escape:
return super(PeakMapExplorer, self).keyPressEvent(e)
def setWindowTitle(self):
if self.peakmap2 is None:
title = os.path.basename(self.peakmap.meta.get("source", ""))
else:
p1 = os.path.basename(self.peakmap.meta.get("source", ""))
p2 = os.path.basename(self.peakmap2.meta.get("source", ""))
title = "yellow=%s, blue=%s" % (p1, p2)
super(PeakMapExplorer, self).setWindowTitle(title)
def setup(self, peakmap, peakmap2=None, table=None):
self.table = table
def collect_precursor_mz(pm):
for s in pm:
if s.precursors:
if s.msLevel > 1:
yield s.precursors[0][0]
self.ms_levels = set(peakmap.getMsLevels())
self.precursor_mz = set(collect_precursor_mz(peakmap))
if peakmap2 is not None:
self.ms_levels &= set(peakmap2.getMsLevels())
self.precursor_mz &= set(collect_precursor_mz(peakmap2))
self.ms_levels = sorted(self.ms_levels)
self.precursor_mz = sorted(self.precursor_mz)
self.setup_table_widgets()
self.setup_input_widgets()
self.history_list = QComboBox(self)
self.setup_ms2_widgets()
self.full_pm = peakmap
self.full_pm2 = peakmap2
self.dual_mode = self.full_pm2 is not None
self.current_ms_level = self.ms_levels[0]
self.process_peakmap(self.current_ms_level)
self.rtmin, self.rtmax, self.mzmin, self.mzmax = get_range(
self.peakmap, self.peakmap2)
self.setup_plot_widgets()
self.setup_menu_bar()
self.setup_layout()
self.connect_signals_and_slots()
self.setup_initial_values()
self.plot_peakmap()
def setup_ms2_widgets(self):
self.spectra_selector_widget.set_data(self.ms_levels,
self.precursor_mz)
def setup_table_widgets(self):
if self.table is not None:
self.table_widget = create_table_widget(self.table, self)
self.select_all_peaks = QPushButton("Select all peaks", self)
self.unselect_all_peaks = QPushButton("Unselect all peaks", self)
self.done_button = QPushButton("Done", self)
def setup_menu_bar(self):
self.menu_bar = QMenuBar(self)
menu = QMenu("Peakmap Explorer", self.menu_bar)
self.menu_bar.addMenu(menu)
if not self.dual_mode:
self.load_action = QAction("Load Peakmap", self)
self.load_action.setShortcut(QKeySequence("Ctrl+L"))
self.load_action2 = None
menu.addAction(self.load_action)
else:
self.load_action = QAction("Load Yellow Peakmap", self)
self.load_action2 = QAction("Load Blue Peakmap", self)
menu.addAction(self.load_action)
menu.addAction(self.load_action2)
self.save_action = QAction("Save selected range as image", self)
self.save_action.setShortcut(QKeySequence("Ctrl+S"))
menu.addAction(self.save_action)
menu = QMenu("Help", self.menu_bar)
self.help_action = QAction("Help", self)
self.help_action.setShortcut(QKeySequence("F1"))
menu.addAction(self.help_action)
self.menu_bar.addMenu(menu)
def process_peakmap(self, ms_level, pre_mz_min=None, pre_mz_max=None):
peakmap = self.full_pm.filter(lambda s: s.msLevel == ms_level)
if ms_level > 1 and pre_mz_min is not None:
peakmap = peakmap.filter(
lambda s: s.precursors[0][0] >= pre_mz_min)
if ms_level > 1 and pre_mz_max is not None:
peakmap = peakmap.filter(
lambda s: s.precursors[0][0] <= pre_mz_max)
if self.full_pm2 is not None:
peakmap2 = self.full_pm2.filter(lambda s: s.msLevel == ms_level)
self.peakmap = peakmap
if self.dual_mode:
self.peakmap2 = peakmap2
else:
self.peakmap2 = None
for i, msl in enumerate(self.ms_levels):
if msl == ms_level:
pass # TODO self.ms_level.setCurrentIndex(i)
self.setWindowTitle()
def setup_initial_values(self):
imax = self.peakmap_plotter.get_total_imax()
self.image_scaling_widget.set_max_intensity(imax)
self.image_scaling_widget.set_gamma(self.gamma)
self.view_range_widget.set_view_range(self.rtmin, self.rtmax,
self.mzmin, self.mzmax)
def setup_input_widgets(self):
self.image_scaling_widget = ImageScalingWidget(self)
self.spectra_selector_widget = SpectraSelectorWidget(self)
self.view_range_widget = ViewRangeWidget(self)
def setup_plot_widgets(self):
self.peakmap_plotter = PeakMapPlottingWidget()
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.eic_plotter = EicPlottingWidget(with_range=False)
self.mz_plotter = MzPlottingWidget()
self.peakmap_plotter.set_logarithmic_scale(1)
self.peakmap_plotter.set_gamma(self.gamma)
self.eic_plotter.set_overall_range(self.rtmin, self.rtmax)
self.mz_plotter.set_overall_range(self.mzmin, self.mzmax)
def setup_layout(self):
outer_layout = QVBoxLayout()
outer_layout.addWidget(self.menu_bar)
outer_layout.setStretch(0, 1)
h_splitter = QSplitter(self)
h_splitter.setOrientation(Qt.Horizontal)
# FIRST COLUMN of h_splitter is chromatogram + peakmap: ############################
v_splitter1 = QSplitter(self)
v_splitter1.setOrientation(Qt.Vertical)
v_splitter1.addWidget(self.eic_plotter)
v_splitter1.addWidget(self.peakmap_plotter)
self.peakmap_plotter.setMinimumSize(250, 200)
v_splitter1.setStretchFactor(0, 1)
v_splitter1.setStretchFactor(1, 3)
h_splitter.addWidget(v_splitter1)
h_splitter.setStretchFactor(0, 2)
# SECOND COLUMN of h_splittier holds controlx boxes + mz plot #######################
v_splitter2 = QSplitter(self)
v_splitter2.setOrientation(Qt.Vertical)
v_splitter2.addWidget(self.image_scaling_widget)
v_splitter2.addWidget(self.spectra_selector_widget)
v_splitter2.addWidget(self.view_range_widget)
v_splitter2.addWidget(self.history_list)
v_splitter2.addWidget(self.mz_plotter)
v_splitter2.setStretchFactor(0, 0)
v_splitter2.setStretchFactor(1, 0)
v_splitter2.setStretchFactor(2, 0)
v_splitter2.setStretchFactor(3, 0)
v_splitter2.setStretchFactor(4, 1)
h_splitter.addWidget(v_splitter2)
h_splitter.setStretchFactor(1, 1)
# THIRD COLUMN of h_splittier holds control table + buttons ##########################
if self.table:
frame = QFrame(self)
layout = QVBoxLayout(frame)
frame.setLayout(layout)
layout.addWidget(self.table_widget)
button_row_layout = QHBoxLayout(frame)
button_row_layout.addWidget(self.select_all_peaks)
button_row_layout.addWidget(self.unselect_all_peaks)
button_row_layout.addWidget(self.done_button)
layout.addLayout(button_row_layout)
h_splitter.addWidget(frame)
h_splitter.setStretchFactor(2, 2)
outer_layout.addWidget(h_splitter)
self.setLayout(outer_layout)
outer_layout.setStretch(1, 99)
def connect_signals_and_slots(self):
self.image_scaling_widget.USE_LOG_SCALE.connect(self.use_logscale)
self.image_scaling_widget.GAMMA_CHANGED.connect(self.gamma_changed)
self.image_scaling_widget.IMIN_CHANGED.connect(self.set_image_min)
self.image_scaling_widget.IMAX_CHANGED.connect(self.set_image_max)
self.spectra_selector_widget.MS_LEVEL_CHOSEN.connect(
self.ms_level_chosen)
self.spectra_selector_widget.PRECURSOR_RANGE_CHANGED.connect(
self.set_precursor_range)
self.view_range_widget.RANGE_CHANGED.connect(self.update_image_range)
self.connect(self.history_list, SIGNAL("activated(int)"),
self.history_item_selected)
if self.dual_mode:
self.connect(self.load_action, SIGNAL("triggered()"),
self.do_load_yellow)
self.connect(self.load_action2, SIGNAL("triggered()"),
self.do_load_blue)
else:
self.connect(self.load_action, SIGNAL("triggered()"), self.do_load)
self.connect(self.save_action, SIGNAL("triggered()"), self.do_save)
self.connect(self.help_action, SIGNAL("triggered()"), self.show_help)
self.peakmap_plotter.NEW_IMAGE_LIMITS.connect(
self.image_limits_upated_by_user)
self.peakmap_plotter.KEY_LEFT.connect(
self.user_pressed_left_key_in_plot)
self.peakmap_plotter.KEY_RIGHT.connect(
self.user_pressed_right_key_in_plot)
self.peakmap_plotter.KEY_BACKSPACE.connect(
self.user_pressed_backspace_key_in_plot)
self.peakmap_plotter.KEY_END.connect(self.user_pressed_end_key_in_plot)
self.peakmap_plotter.CURSOR_MOVED.connect(self.cursor_moved_in_plot)
self.eic_plotter.CURSOR_MOVED.connect(self.eic_cursor_moved)
self.eic_plotter.VIEW_RANGE_CHANGED.connect(
self.eic_view_range_changed)
self.mz_plotter.CURSOR_MOVED.connect(self.mz_cursor_moved)
self.mz_plotter.VIEW_RANGE_CHANGED.connect(self.mz_view_range_changed)
if self.table is not None:
self.connect(self.table_widget.verticalHeader(),
SIGNAL("sectionClicked(int)"), self.row_selected)
self.connect(self.table_widget,
SIGNAL("itemClicked(QTableWidgetItem*)"),
self.cell_clicked)
self.connect(self.select_all_peaks, SIGNAL("pressed()"),
self.select_all_peaks_button_pressed)
self.connect(self.unselect_all_peaks, SIGNAL("pressed()"),
self.unselect_all_peaks_button_pressed)
self.connect(self.done_button, SIGNAL("pressed()"),
self.done_button_pressed)
def key_release_handler(evt):
tw = self.table_widget
active_rows = set(
ix.row()
for ix in tw.selectionModel().selection().indexes())
if active_rows:
row = active_rows.pop()
if evt.key() in (Qt.Key_Up, Qt.Key_Down):
tw.selectRow(row)
tw.verticalHeader().emit(SIGNAL("sectionClicked(int)"),
row)
return
return QTableWidget.keyPressEvent(tw, evt)
self.table_widget.keyReleaseEvent = key_release_handler
def cursor_moved_in_plot(self, rt, mz):
self.eic_plotter.set_cursor_pos(rt)
self.mz_plotter.set_cursor_pos(mz)
def eic_cursor_moved(self, rt):
self.peakmap_plotter.set_cursor_rt(rt)
def eic_view_range_changed(self, rtmin, rtmax):
"""
we want to avoid the loop EIC_RANGE_CHANGED -> VIEW_RANGE_CHANGED -> EIC_RANGE_CHANGED
and we do not want to fully block emitting of VIEW_RANGE_CHANGED.
so self.peakmap_plotter.blockSignals() does not work here, instead we "cut" the last
connection here:
"""
self.eic_plotter.VIEW_RANGE_CHANGED.disconnect()
self.peakmap_plotter.blockSignals(True)
self.peakmap_plotter.set_rt_limits(rtmin, rtmax)
self.peakmap_plotter.blockSignals(False)
self.peakmap_plotter.replot()
self.eic_plotter.VIEW_RANGE_CHANGED.connect(
self.eic_view_range_changed)
def mz_view_range_changed(self, mzmin, mzmax):
"""
we want to avoid the loop MZ_RANGE_CHANGED -> VIEW_RANGE_CHANGED -> MZ_RANGE_CHANGED
and we do not want to fully block emitting of VIEW_RANGE_CHANGED.
so self.peakmap_plotter.blockSignals() does not work here, instead we "cut" the last
connection here:
"""
self.mz_plotter.VIEW_RANGE_CHANGED.disconnect()
self.peakmap_plotter.blockSignals(True)
self.peakmap_plotter.set_mz_limits(mzmin, mzmax)
self.peakmap_plotter.blockSignals(False)
self.peakmap_plotter.replot()
self.mz_plotter.VIEW_RANGE_CHANGED.connect(self.mz_view_range_changed)
def mz_cursor_moved(self, mz):
self.peakmap_plotter.set_cursor_mz(mz)
def image_limits_upated_by_user(self, rtmin, rtmax, mzmin, mzmax):
self.update_peakmap_projection_views(rtmin, rtmax, mzmin, mzmax)
self.history.new_head((rtmin, rtmax, mzmin, mzmax))
self.update_history_entries()
def set_image_min(self, value):
self.peakmap_plotter.set_imin(value)
self.peakmap_plotter.replot()
def set_image_max(self, value):
self.peakmap_plotter.set_imax(value)
self.peakmap_plotter.replot()
def update_peakmap_projection_views(self, rtmin, rtmax, mzmin, mzmax):
rts, chroma = self.peakmap.chromatogram(mzmin, mzmax)
self.eic_plotter.del_all_items()
if self.dual_mode:
rts2, chroma2 = self.peakmap2.chromatogram(mzmin, mzmax, rtmin,
rtmax)
self.eic_plotter.add_eics([(rts, chroma), (rts2, chroma2)],
configs=[blue_line, yellow_line])
else:
self.eic_plotter.add_eics([(rts, chroma)], configs=[grey_line])
self.eic_plotter.shrink_and_replot(rtmin, rtmax)
if self.dual_mode:
data = [(self.peakmap, rtmin, rtmax, mzmin, mzmax, 3000),
(self.peakmap2, rtmin, rtmax, mzmin, mzmax, 3000)]
configs = [dict(color="#aaaa00"), dict(color="#0000aa")]
self.mz_plotter.plot_peakmaps(data, configs)
else:
self.mz_plotter.plot_peakmaps([(self.peakmap, rtmin, rtmax, mzmin,
mzmax, 3000)])
self.mz_plotter.shrink_and_replot(mzmin, mzmax)
self.view_range_widget.set_view_range(rtmin, rtmax, mzmin, mzmax)
def _handle_history_action(self, action):
item = action()
if item is not None:
self.peakmap_plotter.set_limits_no_sig(*item)
self.update_peakmap_projection_views(*item)
self.update_history_entries()
def user_pressed_left_key_in_plot(self):
self._handle_history_action(self.history.go_back)
def user_pressed_right_key_in_plot(self):
self._handle_history_action(self.history.go_forward)
def user_pressed_backspace_key_in_plot(self):
self._handle_history_action(self.history.go_to_beginning)
def user_pressed_end_key_in_plot(self):
self._handle_history_action(self.history.go_to_end)
def history_item_selected(self, index):
self._handle_history_action(
lambda index=index: self.history.set_position(index))
@protect_signal_handler
def do_save(self):
pix = self.peakmap_plotter.paint_pixmap()
while True:
path = askForSave(self.last_used_directory_for_save,
caption="Save Image",
extensions=("png", "PNG"))
if path is None:
break
__, ext = os.path.splitext(path)
if ext not in (".png", ".PNG"):
QMessageBox.warning(self, "Warning",
"wrong/missing extension '.png'")
else:
self.last_used_directory_for_save = os.path.dirname(path)
pix.save(path)
break
return
def _do_load(self, title, attribute):
path = askForSingleFile(self.last_used_directory_for_load,
caption=title,
extensions=("mzML", "mzData", "mzXML"))
if path is not None:
setattr(self, attribute, loadPeakMap(path))
self.process_peakmap()
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.setup_initial_values()
self.setWindowTitle()
self.peakmap_plotter.replot()
self.plot_peakmap()
self.last_used_directory_for_load = os.path.dirname(path)
@protect_signal_handler
def do_load(self):
self._do_load("Load Peakmap", "peakmap")
@protect_signal_handler
def do_load_yellow(self):
self._do_load("Load Yellow Peakmap", "peakmap")
@protect_signal_handler
def do_load_blue(self):
self._do_load("Load Blue Peakmap", "peakmap2")
@protect_signal_handler
def select_all_peaks_button_pressed(self):
for row in range(self.table_widget.rowCount()):
item = self.table_widget.item(row, 0)
item.setCheckState(Qt.Checked)
@protect_signal_handler
def unselect_all_peaks_button_pressed(self):
for row in range(self.table_widget.rowCount()):
item = self.table_widget.item(row, 0)
item.setCheckState(Qt.Unchecked)
@protect_signal_handler
def done_button_pressed(self):
self.ok_rows[:] = [
i for i in range(len(self.table))
if self.table_widget.item(i, 0).checkState() == Qt.Checked
]
self.accept()
@protect_signal_handler
def row_selected(self, row_idx):
row = self.table.getValues(self.table.rows[row_idx])
needed = ["rtmin", "rtmax", "mzmin", "mzmax"]
if all(n in row for n in needed):
rtmin, rtmax, mzmin, mzmax = [row.get(ni) for ni in needed]
self.peakmap_plotter.set_limits(rtmin, rtmax, mzmin, mzmax)
else:
needed = ["mzmin", "mzmax"]
if all(n in row for n in needed):
mzmin, mzmax = [row.get(ni) for ni in needed]
self.peakmap_plotter.set_limits(self.rtmin, self.rtmax, mzmin,
mzmax)
@protect_signal_handler
def cell_clicked(self, item):
row = item.row()
self.table_widget.selectRow(row)
self.table_widget.verticalHeader().emit(SIGNAL("sectionClicked(int)"),
row)
@protect_signal_handler
def show_help(self):
html = resource_string("emzed.core.explorers",
"help_peakmapexplorer.html")
QWebSettings.globalSettings().setFontFamily(QWebSettings.StandardFont,
'Courier')
QWebSettings.globalSettings().setFontSize(QWebSettings.DefaultFontSize,
12)
v = QWebView(self)
v.setHtml(html)
dlg = QDialog(self, Qt.Window)
dlg.setMinimumSize(300, 300)
l = QVBoxLayout(dlg)
l.addWidget(v)
dlg.setLayout(l)
dlg.show()
def update_history_entries(self):
self.history_list.clear()
for item in self.history.items:
rtmin, rtmax, mzmin, mzmax = item
str_item = "%10.5f .. %10.5f %6.2fm...%6.2fm " % (
mzmin, mzmax, rtmin / 60.0, rtmax / 60.0)
self.history_list.addItem(str_item)
self.history_list.setCurrentIndex(self.history.position)
@protect_signal_handler
def use_logscale(self, is_log):
self.peakmap_plotter.set_logarithmic_scale(is_log)
self.peakmap_plotter.replot()
@protect_signal_handler
def ms_level_chosen(self, ms_level):
if ms_level != self.current_ms_level:
self.current_ms_level = ms_level
self.process_peakmap(ms_level)
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.peakmap_plotter.replot()
self.plot_peakmap()
@protect_signal_handler
def set_precursor_range(self, pre_mz_min, pre_mz_max):
self.process_peakmap(self.current_ms_level, pre_mz_min, pre_mz_max)
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.peakmap_plotter.replot()
self.plot_peakmap()
@protect_signal_handler
def gamma_changed(self, value):
self.peakmap_plotter.set_gamma(value)
self.peakmap_plotter.replot()
@protect_signal_handler
def update_image_range(self, rtmin, rtmax, mzmin, mzmax):
rtmin *= 60.0
rtmax *= 60.0
if rtmin < self.rtmin:
rtmin = self.rtmin
if rtmax > self.rtmax:
rtmax = self.rtmax
if mzmin < self.mzmin:
mzmin = self.mzmin
if mzmax > self.mzmax:
mzmax = self.mzmax
rtmin, rtmax = sorted((rtmin, rtmax))
mzmin, mzmax = sorted((mzmin, mzmax))
self.peakmap_plotter.set_limits(rtmin, rtmax, mzmin, mzmax)
def plot_peakmap(self):
self.peakmap_plotter.set_limits(self.rtmin, self.rtmax, self.mzmin,
self.mzmax)
class PeakMapExplorer(EmzedDialog):
def __init__(self, ok_rows_container=[], parent=None):
super(PeakMapExplorer, self).__init__(parent)
self.setWindowFlags(Qt.Window)
# Destroying the C++ object right after closing the dialog box,
# otherwise it may be garbage-collected in another QThread
# (e.g. the editor's analysis thread in Spyder), thus leading to
# a segmentation fault on UNIX or an application crash on Windows
self.ok_rows = ok_rows_container
self.setAttribute(Qt.WA_DeleteOnClose)
self.setWindowFlags(Qt.Window)
self.gamma = 3.0
self.last_used_directory_for_load = None
self.last_used_directory_for_save = None
self.history = History()
def keyPressEvent(self, e):
# avoid closing of dialog when Esc key pressed:
if e.key() != Qt.Key_Escape:
return super(PeakMapExplorer, self).keyPressEvent(e)
def setWindowTitle(self):
if self.peakmap2 is None:
title = os.path.basename(self.peakmap.meta.get("source", ""))
else:
p1 = os.path.basename(self.peakmap.meta.get("source", ""))
p2 = os.path.basename(self.peakmap2.meta.get("source", ""))
title = "yellow=%s, blue=%s" % (p1, p2)
super(PeakMapExplorer, self).setWindowTitle(title)
def setup(self, peakmap, peakmap2=None, table=None):
self.table = table
def collect_precursor_mz(pm):
for s in pm:
if s.precursors:
if s.msLevel > 1:
yield s.precursors[0][0]
self.ms_levels = set(peakmap.getMsLevels())
self.precursor_mz = set(collect_precursor_mz(peakmap))
if peakmap2 is not None:
self.ms_levels &= set(peakmap2.getMsLevels())
self.precursor_mz &= set(collect_precursor_mz(peakmap2))
self.ms_levels = sorted(self.ms_levels)
self.precursor_mz = sorted(self.precursor_mz)
self.setup_table_widgets()
self.setup_input_widgets()
self.history_list = QComboBox(self)
self.setup_ms2_widgets()
self.full_pm = peakmap
self.full_pm2 = peakmap2
self.dual_mode = self.full_pm2 is not None
self.current_ms_level = self.ms_levels[0]
self.process_peakmap(self.current_ms_level)
self.rtmin, self.rtmax, self.mzmin, self.mzmax = get_range(self.peakmap, self.peakmap2)
self.setup_plot_widgets()
self.setup_menu_bar()
self.setup_layout()
self.connect_signals_and_slots()
self.setup_initial_values()
self.plot_peakmap()
def setup_ms2_widgets(self):
self.spectra_selector_widget.set_data(self.ms_levels, self.precursor_mz)
def setup_table_widgets(self):
if self.table is not None:
self.table_widget = create_table_widget(self.table, self)
self.select_all_peaks = QPushButton("Select all peaks", self)
self.unselect_all_peaks = QPushButton("Unselect all peaks", self)
self.done_button = QPushButton("Done", self)
def setup_menu_bar(self):
self.menu_bar = QMenuBar(self)
menu = QMenu("Peakmap Explorer", self.menu_bar)
self.menu_bar.addMenu(menu)
if not self.dual_mode:
self.load_action = QAction("Load Peakmap", self)
self.load_action.setShortcut(QKeySequence("Ctrl+L"))
self.load_action2 = None
menu.addAction(self.load_action)
else:
self.load_action = QAction("Load Yellow Peakmap", self)
self.load_action2 = QAction("Load Blue Peakmap", self)
menu.addAction(self.load_action)
menu.addAction(self.load_action2)
self.save_action = QAction("Save selected range as image", self)
self.save_action.setShortcut(QKeySequence("Ctrl+S"))
menu.addAction(self.save_action)
menu = QMenu("Help", self.menu_bar)
self.help_action = QAction("Help", self)
self.help_action.setShortcut(QKeySequence("F1"))
menu.addAction(self.help_action)
self.menu_bar.addMenu(menu)
def process_peakmap(self, ms_level, pre_mz_min=None, pre_mz_max=None):
peakmap = self.full_pm.filter(lambda s: s.msLevel == ms_level)
if ms_level > 1 and pre_mz_min is not None:
peakmap = peakmap.filter(lambda s: s.precursors[0][0] >= pre_mz_min)
if ms_level > 1 and pre_mz_max is not None:
peakmap = peakmap.filter(lambda s: s.precursors[0][0] <= pre_mz_max)
if self.full_pm2 is not None:
peakmap2 = self.full_pm2.filter(lambda s: s.msLevel == ms_level)
self.peakmap = peakmap
if self.dual_mode:
self.peakmap2 = peakmap2
else:
self.peakmap2 = None
for i, msl in enumerate(self.ms_levels):
if msl == ms_level:
pass # TODO self.ms_level.setCurrentIndex(i)
self.setWindowTitle()
def setup_initial_values(self):
imax = self.peakmap_plotter.get_total_imax()
self.image_scaling_widget.set_max_intensity(imax)
self.image_scaling_widget.set_gamma(self.gamma)
self.view_range_widget.set_view_range(self.rtmin, self.rtmax, self.mzmin, self.mzmax)
def setup_input_widgets(self):
self.image_scaling_widget = ImageScalingWidget(self)
self.spectra_selector_widget = SpectraSelectorWidget(self)
self.view_range_widget = ViewRangeWidget(self)
def setup_plot_widgets(self):
self.peakmap_plotter = PeakMapPlottingWidget()
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.eic_plotter = EicPlottingWidget(with_range=False)
self.mz_plotter = MzPlottingWidget()
self.peakmap_plotter.set_logarithmic_scale(1)
self.peakmap_plotter.set_gamma(self.gamma)
self.eic_plotter.set_overall_range(self.rtmin, self.rtmax)
self.mz_plotter.set_overall_range(self.mzmin, self.mzmax)
def setup_layout(self):
outer_layout = QVBoxLayout()
outer_layout.addWidget(self.menu_bar)
outer_layout.setStretch(0, 1)
h_splitter = QSplitter(self)
h_splitter.setOrientation(Qt.Horizontal)
# FIRST COLUMN of h_splitter is chromatogram + peakmap: ############################
v_splitter1 = QSplitter(self)
v_splitter1.setOrientation(Qt.Vertical)
v_splitter1.addWidget(self.eic_plotter)
v_splitter1.addWidget(self.peakmap_plotter)
self.peakmap_plotter.setMinimumSize(250, 200)
v_splitter1.setStretchFactor(0, 1)
v_splitter1.setStretchFactor(1, 3)
h_splitter.addWidget(v_splitter1)
h_splitter.setStretchFactor(0, 2)
# SECOND COLUMN of h_splittier holds controlx boxes + mz plot #######################
v_splitter2 = QSplitter(self)
v_splitter2.setOrientation(Qt.Vertical)
v_splitter2.addWidget(self.image_scaling_widget)
v_splitter2.addWidget(self.spectra_selector_widget)
v_splitter2.addWidget(self.view_range_widget)
v_splitter2.addWidget(self.history_list)
v_splitter2.addWidget(self.mz_plotter)
v_splitter2.setStretchFactor(0, 0)
v_splitter2.setStretchFactor(1, 0)
v_splitter2.setStretchFactor(2, 0)
v_splitter2.setStretchFactor(3, 0)
v_splitter2.setStretchFactor(4, 1)
h_splitter.addWidget(v_splitter2)
h_splitter.setStretchFactor(1, 1)
# THIRD COLUMN of h_splittier holds control table + buttons ##########################
if self.table:
frame = QFrame(self)
layout = QVBoxLayout(frame)
frame.setLayout(layout)
layout.addWidget(self.table_widget)
button_row_layout = QHBoxLayout(frame)
button_row_layout.addWidget(self.select_all_peaks)
button_row_layout.addWidget(self.unselect_all_peaks)
button_row_layout.addWidget(self.done_button)
layout.addLayout(button_row_layout)
h_splitter.addWidget(frame)
h_splitter.setStretchFactor(2, 2)
outer_layout.addWidget(h_splitter)
self.setLayout(outer_layout)
outer_layout.setStretch(1, 99)
def connect_signals_and_slots(self):
self.image_scaling_widget.USE_LOG_SCALE.connect(self.use_logscale)
self.image_scaling_widget.GAMMA_CHANGED.connect(self.gamma_changed)
self.image_scaling_widget.IMIN_CHANGED.connect(self.set_image_min)
self.image_scaling_widget.IMAX_CHANGED.connect(self.set_image_max)
self.spectra_selector_widget.MS_LEVEL_CHOSEN.connect(self.ms_level_chosen)
self.spectra_selector_widget.PRECURSOR_RANGE_CHANGED.connect(self.set_precursor_range)
self.view_range_widget.RANGE_CHANGED.connect(self.update_image_range)
self.connect(self.history_list, SIGNAL("activated(int)"), self.history_item_selected)
if self.dual_mode:
self.connect(self.load_action, SIGNAL("triggered()"), self.do_load_yellow)
self.connect(self.load_action2, SIGNAL("triggered()"), self.do_load_blue)
else:
self.connect(self.load_action, SIGNAL("triggered()"), self.do_load)
self.connect(self.save_action, SIGNAL("triggered()"), self.do_save)
self.connect(self.help_action, SIGNAL("triggered()"), self.show_help)
self.peakmap_plotter.NEW_IMAGE_LIMITS.connect(self.image_limits_upated_by_user)
self.peakmap_plotter.KEY_LEFT.connect(self.user_pressed_left_key_in_plot)
self.peakmap_plotter.KEY_RIGHT.connect(self.user_pressed_right_key_in_plot)
self.peakmap_plotter.KEY_BACKSPACE.connect(self.user_pressed_backspace_key_in_plot)
self.peakmap_plotter.KEY_END.connect(self.user_pressed_end_key_in_plot)
self.peakmap_plotter.CURSOR_MOVED.connect(self.cursor_moved_in_plot)
self.eic_plotter.CURSOR_MOVED.connect(self.eic_cursor_moved)
self.eic_plotter.VIEW_RANGE_CHANGED.connect(self.eic_view_range_changed)
self.mz_plotter.CURSOR_MOVED.connect(self.mz_cursor_moved)
self.mz_plotter.VIEW_RANGE_CHANGED.connect(self.mz_view_range_changed)
if self.table is not None:
self.connect(self.table_widget.verticalHeader(), SIGNAL("sectionClicked(int)"),
self.row_selected)
self.connect(self.table_widget, SIGNAL("itemClicked(QTableWidgetItem*)"),
self.cell_clicked)
self.connect(self.select_all_peaks, SIGNAL("pressed()"),
self.select_all_peaks_button_pressed)
self.connect(self.unselect_all_peaks, SIGNAL("pressed()"),
self.unselect_all_peaks_button_pressed)
self.connect(self.done_button, SIGNAL("pressed()"),
self.done_button_pressed)
def key_release_handler(evt):
tw = self.table_widget
active_rows = set(ix.row() for ix in tw.selectionModel().selection().indexes())
if active_rows:
row = active_rows.pop()
if evt.key() in (Qt.Key_Up, Qt.Key_Down):
tw.selectRow(row)
tw.verticalHeader().emit(SIGNAL("sectionClicked(int)"), row)
return
return QTableWidget.keyPressEvent(tw, evt)
self.table_widget.keyReleaseEvent = key_release_handler
def cursor_moved_in_plot(self, rt, mz):
self.eic_plotter.set_cursor_pos(rt)
self.mz_plotter.set_cursor_pos(mz)
def eic_cursor_moved(self, rt):
self.peakmap_plotter.set_cursor_rt(rt)
def eic_view_range_changed(self, rtmin, rtmax):
"""
we want to avoid the loop EIC_RANGE_CHANGED -> VIEW_RANGE_CHANGED -> EIC_RANGE_CHANGED
and we do not want to fully block emitting of VIEW_RANGE_CHANGED.
so self.peakmap_plotter.blockSignals() does not work here, instead we "cut" the last
connection here:
"""
self.eic_plotter.VIEW_RANGE_CHANGED.disconnect()
self.peakmap_plotter.blockSignals(True)
self.peakmap_plotter.set_rt_limits(rtmin, rtmax)
self.peakmap_plotter.blockSignals(False)
self.peakmap_plotter.replot()
self.eic_plotter.VIEW_RANGE_CHANGED.connect(self.eic_view_range_changed)
def mz_view_range_changed(self, mzmin, mzmax):
"""
we want to avoid the loop MZ_RANGE_CHANGED -> VIEW_RANGE_CHANGED -> MZ_RANGE_CHANGED
and we do not want to fully block emitting of VIEW_RANGE_CHANGED.
so self.peakmap_plotter.blockSignals() does not work here, instead we "cut" the last
connection here:
"""
self.mz_plotter.VIEW_RANGE_CHANGED.disconnect()
self.peakmap_plotter.blockSignals(True)
self.peakmap_plotter.set_mz_limits(mzmin, mzmax)
self.peakmap_plotter.blockSignals(False)
self.peakmap_plotter.replot()
self.mz_plotter.VIEW_RANGE_CHANGED.connect(self.mz_view_range_changed)
def mz_cursor_moved(self, mz):
self.peakmap_plotter.set_cursor_mz(mz)
def image_limits_upated_by_user(self, rtmin, rtmax, mzmin, mzmax):
self.update_peakmap_projection_views(rtmin, rtmax, mzmin, mzmax)
self.history.new_head((rtmin, rtmax, mzmin, mzmax))
self.update_history_entries()
def set_image_min(self, value):
self.peakmap_plotter.set_imin(value)
self.peakmap_plotter.replot()
def set_image_max(self, value):
self.peakmap_plotter.set_imax(value)
self.peakmap_plotter.replot()
def update_peakmap_projection_views(self, rtmin, rtmax, mzmin, mzmax):
rts, chroma = self.peakmap.chromatogram(mzmin, mzmax)
self.eic_plotter.del_all_items()
if self.dual_mode:
rts2, chroma2 = self.peakmap2.chromatogram(mzmin, mzmax, rtmin, rtmax)
self.eic_plotter.add_eics([(rts, chroma), (rts2, chroma2)], configs=[blue_line, yellow_line])
else:
self.eic_plotter.add_eics([(rts, chroma)], configs=[grey_line])
self.eic_plotter.shrink_and_replot(rtmin, rtmax)
if self.dual_mode:
data = [(self.peakmap, rtmin, rtmax, mzmin, mzmax, 3000),
(self.peakmap2, rtmin, rtmax, mzmin, mzmax, 3000)]
configs = [dict(color="#aaaa00"), dict(color="#0000aa")]
self.mz_plotter.plot_peakmaps(data, configs)
else:
self.mz_plotter.plot_peakmaps([(self.peakmap, rtmin, rtmax, mzmin, mzmax, 3000)])
self.mz_plotter.shrink_and_replot(mzmin, mzmax)
self.view_range_widget.set_view_range(rtmin, rtmax, mzmin, mzmax)
def _handle_history_action(self, action):
item = action()
if item is not None:
self.peakmap_plotter.set_limits_no_sig(*item)
self.update_peakmap_projection_views(*item)
self.update_history_entries()
def user_pressed_left_key_in_plot(self):
self._handle_history_action(self.history.go_back)
def user_pressed_right_key_in_plot(self):
self._handle_history_action(self.history.go_forward)
def user_pressed_backspace_key_in_plot(self):
self._handle_history_action(self.history.go_to_beginning)
def user_pressed_end_key_in_plot(self):
self._handle_history_action(self.history.go_to_end)
def history_item_selected(self, index):
self._handle_history_action(lambda index=index: self.history.set_position(index))
@protect_signal_handler
def do_save(self):
pix = self.peakmap_plotter.paint_pixmap()
while True:
path = askForSave(self.last_used_directory_for_save,
caption="Save Image",
extensions=("png", "PNG")
)
if path is None:
break
__, ext = os.path.splitext(path)
if ext not in (".png", ".PNG"):
QMessageBox.warning(self, "Warning", "wrong/missing extension '.png'")
else:
self.last_used_directory_for_save = os.path.dirname(path)
pix.save(path)
break
return
def _do_load(self, title, attribute):
path = askForSingleFile(self.last_used_directory_for_load,
caption=title,
extensions=("mzML", "mzData", "mzXML")
)
if path is not None:
setattr(self, attribute, loadPeakMap(path))
self.process_peakmap()
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.setup_initial_values()
self.setWindowTitle()
self.peakmap_plotter.replot()
self.plot_peakmap()
self.last_used_directory_for_load = os.path.dirname(path)
@protect_signal_handler
def do_load(self):
self._do_load("Load Peakmap", "peakmap")
@protect_signal_handler
def do_load_yellow(self):
self._do_load("Load Yellow Peakmap", "peakmap")
@protect_signal_handler
def do_load_blue(self):
self._do_load("Load Blue Peakmap", "peakmap2")
@protect_signal_handler
def select_all_peaks_button_pressed(self):
for row in range(self.table_widget.rowCount()):
item = self.table_widget.item(row, 0)
item.setCheckState(Qt.Checked)
@protect_signal_handler
def unselect_all_peaks_button_pressed(self):
for row in range(self.table_widget.rowCount()):
item = self.table_widget.item(row, 0)
item.setCheckState(Qt.Unchecked)
@protect_signal_handler
def done_button_pressed(self):
self.ok_rows[:] = [i for i in range(len(self.table))
if self.table_widget.item(i, 0).checkState() == Qt.Checked]
self.accept()
@protect_signal_handler
def row_selected(self, row_idx):
row = self.table.getValues(self.table.rows[row_idx])
needed = ["rtmin", "rtmax", "mzmin", "mzmax"]
if all(n in row for n in needed):
rtmin, rtmax, mzmin, mzmax = [row.get(ni) for ni in needed]
self.peakmap_plotter.set_limits(rtmin, rtmax, mzmin, mzmax)
else:
needed = ["mzmin", "mzmax"]
if all(n in row for n in needed):
mzmin, mzmax = [row.get(ni) for ni in needed]
self.peakmap_plotter.set_limits(self.rtmin, self.rtmax, mzmin, mzmax)
@protect_signal_handler
def cell_clicked(self, item):
row = item.row()
self.table_widget.selectRow(row)
self.table_widget.verticalHeader().emit(SIGNAL("sectionClicked(int)"), row)
@protect_signal_handler
def show_help(self):
html = resource_string("emzed.core.explorers", "help_peakmapexplorer.html")
QWebSettings.globalSettings().setFontFamily(QWebSettings.StandardFont, 'Courier')
QWebSettings.globalSettings().setFontSize(QWebSettings.DefaultFontSize, 12)
v = QWebView(self)
v.setHtml(html)
dlg = QDialog(self, Qt.Window)
dlg.setMinimumSize(300, 300)
l = QVBoxLayout(dlg)
l.addWidget(v)
dlg.setLayout(l)
dlg.show()
def update_history_entries(self):
self.history_list.clear()
for item in self.history.items:
rtmin, rtmax, mzmin, mzmax = item
str_item = "%10.5f .. %10.5f %6.2fm...%6.2fm " % (mzmin, mzmax, rtmin / 60.0,
rtmax / 60.0)
self.history_list.addItem(str_item)
self.history_list.setCurrentIndex(self.history.position)
@protect_signal_handler
def use_logscale(self, is_log):
self.peakmap_plotter.set_logarithmic_scale(is_log)
self.peakmap_plotter.replot()
@protect_signal_handler
def ms_level_chosen(self, ms_level):
if ms_level != self.current_ms_level:
self.current_ms_level = ms_level
self.process_peakmap(ms_level)
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.peakmap_plotter.replot()
self.plot_peakmap()
@protect_signal_handler
def set_precursor_range(self, pre_mz_min, pre_mz_max):
self.process_peakmap(self.current_ms_level, pre_mz_min, pre_mz_max)
self.peakmap_plotter.set_peakmaps(self.peakmap, self.peakmap2)
self.peakmap_plotter.replot()
self.plot_peakmap()
@protect_signal_handler
def gamma_changed(self, value):
self.peakmap_plotter.set_gamma(value)
self.peakmap_plotter.replot()
@protect_signal_handler
def update_image_range(self, rtmin, rtmax, mzmin, mzmax):
rtmin *= 60.0
rtmax *= 60.0
if rtmin < self.rtmin:
rtmin = self.rtmin
if rtmax > self.rtmax:
rtmax = self.rtmax
if mzmin < self.mzmin:
mzmin = self.mzmin
if mzmax > self.mzmax:
mzmax = self.mzmax
rtmin, rtmax = sorted((rtmin, rtmax))
mzmin, mzmax = sorted((mzmin, mzmax))
self.peakmap_plotter.set_limits(rtmin, rtmax, mzmin, mzmax)
def plot_peakmap(self):
self.peakmap_plotter.set_limits(self.rtmin, self.rtmax, self.mzmin, self.mzmax)
class TableExplorer(EmzedDialog):
def __init__(self, tables, offerAbortOption, parent=None, close_callback=None):
super(TableExplorer, self).__init__(parent)
# function which is called when window is closed. the arguments passed are boolean
# flags indication for every table if it was modified:
self.close_callback = close_callback
# Destroying the C++ object right after closing the dialog box,
# otherwise it may be garbage-collected in another QThread
# (e.g. the editor's analysis thread in Spyder), thus leading to
# a segmentation fault on UNIX or an application crash on Windows
self.setAttribute(Qt.WA_DeleteOnClose)
self.setWindowFlags(Qt.Window)
self.offerAbortOption = offerAbortOption
self.models = [TableModel(table, self) for table in tables]
self.model = None
self.tableView = None
self.hadFeatures = None
self.setupWidgets()
self.setupLayout()
self.connectSignals()
sizePolicy = QSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
self.setSizePolicy(sizePolicy)
self.setSizeGripEnabled(True)
self.setupViewForTable(0)
def reject(self):
super(TableExplorer, self).reject()
modified = [len(m.actions) > 0 for m in self.models]
if self.close_callback is not None:
try:
self.close_callback(*modified)
except:
import traceback
traceback.print_exc()
def keyPressEvent(self, e):
if e.key() != Qt.Key_Escape:
super(TableExplorer, self).keyPressEvent(e)
def setupWidgets(self):
self.setupMenuBar()
self.setupTableViews()
self.setupPlottingAndIntegrationWidgets()
self.setupToolWidgets()
if self.offerAbortOption:
self.setupAcceptButtons()
def setupPlottingAndIntegrationWidgets(self):
self.setupPlottingWidgets()
self.setupIntegrationWidgets()
def setupMenuBar(self):
self.menubar = QMenuBar(self)
menu = self.buildEditMenu()
self.menubar.addMenu(menu)
self.chooseTableActions = []
if len(self.models) > 1:
menu = self.buildChooseTableMenu()
self.menubar.addMenu(menu)
def buildEditMenu(self):
self.undoAction = QAction("Undo", self)
self.undoAction.setShortcut(QKeySequence("Ctrl+Z"))
self.redoAction = QAction("Redo", self)
self.redoAction.setShortcut(QKeySequence("Ctrl+Y"))
menu = QMenu("Edit", self.menubar)
menu.addAction(self.undoAction)
menu.addAction(self.redoAction)
return menu
def setupTableViews(self):
self.tableViews = []
self.filterWidgets = []
self.filters_enabled = False
for i, model in enumerate(self.models):
self.tableViews.append(self.setupTableViewFor(model))
self.filterWidgets.append(self.setupFilterWidgetFor(model))
def setupFilterWidgetFor(self, model):
t = model.table
w = FilterCriteriaWidget(self)
w.configure(t)
w.LIMITS_CHANGED.connect(model.limits_changed)
return w
def set_delegates(self):
bd = ButtonDelegate(self.tableView, self)
types = self.model.table.getColTypes()
for i, j in self.model.widgetColToDataCol.items():
if types[j] == CallBack:
self.tableView.setItemDelegateForColumn(i, bd)
def remove_delegates(self):
types = self.model.table.getColTypes()
for i, j in self.model.widgetColToDataCol.items():
if types[j] in (bool, CallBack):
self.tableView.setItemDelegateForColumn(i, None)
def setupTableViewFor(self, model):
tableView = EmzedTableView(self)
tableView.setModel(model)
tableView.horizontalHeader().setResizeMode(QHeaderView.Interactive)
tableView.horizontalHeader().setMovable(1)
pol = QSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
tableView.setSizePolicy(pol)
tableView.setVisible(False)
# before filling the table, disabling sorting accelerates table
# construction, sorting is enabled in TableView.showEvent, which is
# called after construction
tableView.setSortingEnabled(False)
return tableView
def buildChooseTableMenu(self):
menu = QMenu("Choose Table", self.menubar)
for i, model in enumerate(self.models):
action = QAction(" [%d]: %s" % (i, model.getTitle()), self)
menu.addAction(action)
self.chooseTableActions.append(action)
return menu
def setupPlottingWidgets(self):
self.eic_plotter = EicPlottingWidget()
self.mz_plotter = MzPlottingWidget()
self.ts_plotter = TimeSeriesPlottingWidget()
pol = QSizePolicy(QSizePolicy.Minimum, QSizePolicy.Minimum)
pol.setVerticalStretch(5)
self.eic_plotter.setSizePolicy(pol)
self.mz_plotter.setSizePolicy(pol)
self.ts_plotter.setSizePolicy(pol)
self.spec_label = QLabel("plot spectra:")
self.choose_spec = QListWidget()
self.choose_spec.setFixedHeight(90)
self.choose_spec.setSelectionMode(QAbstractItemView.ExtendedSelection)
def setupIntegrationWidgets(self):
self.integration_widget = IntegrationWidget(self)
names = [name for (name, __) in algorithm_configs.peakIntegrators]
self.integration_widget.set_integration_methods(names)
def setupToolWidgets(self):
self.chooseGroubLabel = QLabel("Expand selection:", parent=self)
self.chooseGroupColumn = QComboBox(parent=self)
self.chooseGroupColumn.setMinimumWidth(150)
self.choose_visible_columns_button = button("Visible columns")
# we introduced this invisible button else qt makes the filter_on_button always
# active on mac osx, that means that as soon we press enter in one of the filter
# widgets the button is triggered !
# problem does not occur on windows.
# self.dummy = QPushButton()
# self.dummy.setVisible(False)
self.filter_on_button = button("Filter rows")
self.sort_label = QLabel("sort by:", parent=self)
self.sort_fields_widgets = []
self.sort_order_widgets = []
for i in range(3):
w = QComboBox(parent=self)
w.setMinimumWidth(100)
self.sort_fields_widgets.append(w)
w = QComboBox(parent=self)
w.addItems(["asc", "desc"])
w.setMaximumWidth(60)
self.sort_order_widgets.append(w)
self.restrict_to_filtered_button = button("Restrict to filter result")
self.remove_filtered_button = button("Remove filter result")
self.export_table_button = button("Export table")
self.restrict_to_filtered_button.setEnabled(False)
self.remove_filtered_button.setEnabled(False)
def setupAcceptButtons(self):
self.okButton = button("Ok", parent=self)
self.abortButton = button("Abort", parent=self)
self.result = 1 # default for closing
def create_additional_widgets(self, vsplitter):
# so that derived classes can add widgets above table !
return None
def connect_additional_widgets(self, model):
pass
def setupLayout(self):
vlayout = QVBoxLayout()
self.setLayout(vlayout)
vsplitter = QSplitter()
vsplitter.setOrientation(Qt.Vertical)
vsplitter.setOpaqueResize(False)
vsplitter.addWidget(self.menubar) # 0
vsplitter.addWidget(self.layoutPlottingAndIntegrationWidgets()) # 1
extra = self.create_additional_widgets(vsplitter)
if extra is not None:
vsplitter.addWidget(extra)
self.table_view_container = QStackedWidget(self)
for view in self.tableViews:
self.table_view_container.addWidget(view)
vsplitter.addWidget(self.table_view_container) # 2
vsplitter.addWidget(self.layoutToolWidgets()) # 3
# self.filter_widgets_box = QScrollArea(self)
self.filter_widgets_container = QStackedWidget(self)
for w in self.filterWidgets:
self.filter_widgets_container.addWidget(w)
self.filter_widgets_container.setVisible(False)
self.filter_widgets_container.setFrameStyle(QFrame.Plain)
vsplitter.addWidget(self.filter_widgets_container)
di = 1 if extra is not None else 0
vsplitter.setStretchFactor(0, 1.0) # menubar
vsplitter.setStretchFactor(1, 3.0) # plots + integration
# vsplitter.setStretchFactor(2, 1.0) # ms2 spec chooser
vsplitter.setStretchFactor(2 + di, 5.0) # table
vsplitter.setStretchFactor(3 + di, 1.0) # tools
vsplitter.setStretchFactor(4 + di, 2.0) # filters
vlayout.addWidget(vsplitter)
if self.offerAbortOption:
vlayout.addLayout(self.layoutButtons())
def layoutButtons(self):
hbox = QHBoxLayout()
hbox.addWidget(self.abortButton)
hbox.setAlignment(self.abortButton, Qt.AlignVCenter)
hbox.addWidget(self.okButton)
hbox.setAlignment(self.okButton, Qt.AlignVCenter)
return hbox
def enable_integration_widgets(self, flag=True):
self.integration_widget.setEnabled(flag)
def enable_spec_chooser_widgets(self, flag=True):
self.spec_label.setEnabled(flag)
self.choose_spec.setEnabled(flag)
def layoutPlottingAndIntegrationWidgets(self):
hsplitter = QSplitter()
hsplitter.setOpaqueResize(False)
middleLayout = QVBoxLayout()
middleLayout.setSpacing(5)
middleLayout.setMargin(5)
middleLayout.addWidget(self.integration_widget)
middleLayout.addStretch()
middleLayout.addWidget(self.spec_label)
middleLayout.addWidget(self.choose_spec)
middleLayout.addStretch()
middleLayout.addStretch()
self.middleFrame = QFrame()
self.middleFrame.setLayout(middleLayout)
self.middleFrame.setMaximumWidth(250)
plot_widgets = self.setup_plot_widgets([self.ts_plotter, self.eic_plotter, self.middleFrame,
self.mz_plotter])
for widget in plot_widgets:
hsplitter.addWidget(widget)
return hsplitter
def setup_plot_widgets(self, widgets):
return widgets
def layoutToolWidgets(self):
frame = QFrame(parent=self)
layout = QGridLayout()
row = 0
column = 0
layout.addWidget(self.chooseGroubLabel, row, column, alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.chooseGroupColumn, row, column, alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.choose_visible_columns_button, row, column, alignment=Qt.AlignLeft)
h_layout = QHBoxLayout()
h_layout.addWidget(self.sort_label)
for sort_field_w, sort_order_w in zip(self.sort_fields_widgets, self.sort_order_widgets):
h_layout.addWidget(sort_field_w)
h_layout.addWidget(sort_order_w)
column += 1
layout.addLayout(h_layout, row, column, alignment=Qt.AlignLeft)
row = 1
column = 0
layout.addWidget(self.filter_on_button, row, column, alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.restrict_to_filtered_button, row, column, alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.remove_filtered_button, row, column, alignment=Qt.AlignLeft)
column += 1
layout.addWidget(self.export_table_button, row, column, alignment=Qt.AlignLeft)
column += 1
# layout.addWidget(self.dummy, row, column, alignment=Qt.AlignLeft)
layout.setColumnStretch(column, 1)
frame.setLayout(layout)
return frame
def set_window_title(self, table, visible=None):
if visible is None:
visible = table
model_title = self.model.getTitle()
title = "%d out of %d rows from %s" % (len(visible), len(table), model_title)
self.setWindowTitle(title)
def setup_model_dependent_look(self):
hasFeatures = self.model.hasFeatures()
isIntegrated = self.model.isIntegrated()
hasEIC = self.model.hasEIC()
hasTimeSeries = self.model.hasTimeSeries()
hasSpectra = self.model.hasSpectra()
self.eic_only_mode = hasEIC and not hasFeatures # includes: not isIntegrated !
self.has_chromatograms = hasFeatures
self.allow_integration = isIntegrated
self.has_time_series = hasTimeSeries
self.has_spectra = hasSpectra
self.eic_plotter.setVisible(self.eic_only_mode or self.has_chromatograms)
self.eic_plotter.enable_range(not self.eic_only_mode)
self.mz_plotter.setVisible(self.has_chromatograms or self.has_spectra)
self.ts_plotter.setVisible(self.has_time_series)
self.enable_integration_widgets(self.allow_integration)
self.enable_spec_chooser_widgets(self.has_spectra or self.has_chromatograms)
self.enable_integration_widgets(self.allow_integration)
self.enable_spec_chooser_widgets(self.has_chromatograms or self.has_spectra)
self.middleFrame.setVisible(self.allow_integration or self.has_spectra)
self.choose_spec.clear()
@protect_signal_handler
def handleClick(self, index, model):
content = model.data(index)
if isUrl(content):
QDesktopServices.openUrl(QUrl(content))
@protect_signal_handler
def cell_pressed(self, index):
self.tableView.selectRow(index.row())
self.tableView.verticalHeader().sectionClicked.emit(index.row())
def connectSignals(self):
for i, action in enumerate(self.chooseTableActions):
handler = lambda i=i: self.setupViewForTable(i)
handler = protect_signal_handler(handler)
self.menubar.connect(action, SIGNAL("triggered()"), handler)
for view in self.tableViews:
vh = view.verticalHeader()
vh.setContextMenuPolicy(Qt.CustomContextMenu)
self.connect(vh, SIGNAL("customContextMenuRequested(QPoint)"), self.openContextMenu)
self.connect(vh, SIGNAL("sectionClicked(int)"), self.rowClicked)
model = view.model()
handler = lambda idx, model=model: self.handleClick(idx, model)
handler = protect_signal_handler(handler)
self.connect(view, SIGNAL("clicked(QModelIndex)"), handler)
self.connect(view, SIGNAL("doubleClicked(QModelIndex)"), self.handle_double_click)
view.pressed.connect(self.cell_pressed)
self.connect_additional_widgets(model)
self.integration_widget.TRIGGER_INTEGRATION.connect(self.do_integrate)
self.choose_spec.itemSelectionChanged.connect(self.spectrumChosen)
if self.offerAbortOption:
self.connect(self.okButton, SIGNAL("clicked()"), self.ok)
self.connect(self.abortButton, SIGNAL("clicked()"), self.abort)
self.choose_visible_columns_button.clicked.connect(self.choose_visible_columns)
self.filter_on_button.clicked.connect(self.filter_toggle)
self.remove_filtered_button.clicked.connect(self.remove_filtered)
self.restrict_to_filtered_button.clicked.connect(self.restrict_to_filtered)
self.export_table_button.clicked.connect(self.export_table)
for sort_field_w in self.sort_fields_widgets:
sort_field_w.currentIndexChanged.connect(self.sort_fields_changed)
for sort_order_w in self.sort_order_widgets:
sort_order_w.currentIndexChanged.connect(self.sort_fields_changed)
self.eic_plotter.SELECTED_RANGE_CHANGED.connect(self.eic_selection_changed)
@protect_signal_handler
def sort_fields_changed(self, __):
sort_data = [(str(f0.currentText()),
str(f1.currentText())) for f0, f1 in zip(self.sort_fields_widgets,
self.sort_order_widgets)]
sort_data = [(f0, f1) for (f0, f1) in sort_data if f0 != "-" and f0 != ""]
if sort_data:
self.model.sort_by(sort_data)
main_name, main_order = sort_data[0]
idx = self.model.widget_col(main_name)
if idx is not None:
header = self.tableView.horizontalHeader()
header.blockSignals(True)
header.setSortIndicator(
idx, Qt.AscendingOrder if main_order.startswith("asc") else Qt.DescendingOrder)
header.blockSignals(False)
@protect_signal_handler
def filter_toggle(self, *a):
self.filters_enabled = not self.filters_enabled
for model in self.models:
model.setFiltersEnabled(self.filters_enabled)
self.filter_widgets_container.setVisible(self.filters_enabled)
self.restrict_to_filtered_button.setEnabled(self.filters_enabled)
self.remove_filtered_button.setEnabled(self.filters_enabled)
if self.filters_enabled:
# we add spaces becaus on mac the text field cut when rendered
self.filter_on_button.setText("Disable row filtering")
self.export_table_button.setText("Export filtered")
else:
# we add spaces becaus on mac the text field cut when rendered
self.filter_on_button.setText("Enable row filtering")
self.export_table_button.setText("Export table")
@protect_signal_handler
def choose_visible_columns(self, *a):
self.remove_delegates()
col_names, is_currently_visible = self.model.columnames_with_visibility()
if not col_names:
return
# zip, sort and unzip then:
col_names, is_currently_visible = zip(*sorted(zip(col_names, is_currently_visible)))
dlg = ColumnMultiSelectDialog(col_names, is_currently_visible)
dlg.exec_()
if dlg.column_settings is None:
return
hide_names = [n for (n, col_idx, visible) in dlg.column_settings if not visible]
self.update_hidden_columns(hide_names)
self.model.save_preset_hidden_column_names()
def update_hidden_columns(self, hidden_names):
self.model.hide_columns(hidden_names)
self.set_delegates()
self.setup_choose_group_column_widget(hidden_names)
self.setup_sort_fields(hidden_names)
self.current_filter_widget.hide_filters(hidden_names)
self.model.table.meta["hide_in_explorer"] = hidden_names
self.setup_sort_fields(hidden_names)
@protect_signal_handler
def remove_filtered(self, *a):
self.model.remove_filtered()
@protect_signal_handler
def restrict_to_filtered(self, *a):
self.model.restrict_to_filtered()
@protect_signal_handler
def export_table(self, *a):
path = askForSave(extensions=["csv"])
if path is not None:
t = self.model.extract_visible_table()
if os.path.exists(path):
os.remove(path)
t.storeCSV(path, as_printed=True)
@protect_signal_handler
def handle_double_click(self, idx):
row, col = self.model.table_index(idx)
cell_value = self.model.cell_value(idx)
extra_args = dict()
if isinstance(cell_value, PeakMap):
col_name = self.model.column_name(idx)
if "__" in col_name:
prefix, __, __ = col_name.partition("__")
full_prefix = prefix + "__"
else:
full_prefix = ""
for n in "rtmin", "rtmax", "mzmin", "mzmax", "mz":
full_n = full_prefix + n
value = self.model.table.getValue(self.model.table.rows[row], full_n, None)
extra_args[n] = value
if extra_args["mzmin"] is None and extra_args["mzmax"] is None:
mz = extra_args["mz"]
if mz is not None:
mzmin = mz - 10 * 1e-6 * mz # -10 ppm
mzmax = mz + 10 * 1e-6 * mz # +19 ppm
extra_args["mzmin"] = mzmin
extra_args["mzmax"] = mzmax
del extra_args["mz"]
insp = inspector(cell_value, modal=False, parent=self, **extra_args)
if insp is not None:
insp()
def disconnectModelSignals(self):
self.disconnect(self.model, SIGNAL("dataChanged(QModelIndex,QModelIndex,PyQt_PyObject)"),
self.dataChanged)
self.model.modelReset.disconnect(self.handle_model_reset)
self.menubar.disconnect(self.undoAction, SIGNAL("triggered()"),
protect_signal_handler(self.model.undoLastAction))
self.menubar.disconnect(self.redoAction, SIGNAL("triggered()"),
protect_signal_handler(self.model.redoLastAction))
def connectModelSignals(self):
self.connect(self.model, SIGNAL("dataChanged(QModelIndex,QModelIndex,PyQt_PyObject)"),
self.dataChanged)
self.model.modelReset.connect(self.handle_model_reset)
self.menubar.connect(self.undoAction, SIGNAL("triggered()"),
protect_signal_handler(self.model.undoLastAction))
self.menubar.connect(self.redoAction, SIGNAL("triggered()"),
protect_signal_handler(self.model.redoLastAction))
self.model.DATA_CHANGE.connect(self.set_window_title)
self.model.SORT_TRIGGERED.connect(self.sort_by_click_in_header)
@protect_signal_handler
def sort_by_click_in_header(self, name, is_ascending):
for f in self.sort_fields_widgets:
f.blockSignals(True)
for f in self.sort_order_widgets:
f.blockSignals(True)
main_widget = self.sort_fields_widgets[0]
idx = main_widget.findText(name)
main_widget.setCurrentIndex(idx)
self.sort_order_widgets[0].setCurrentIndex(bool(is_ascending))
for i in range(1, len(self.sort_fields_widgets)):
self.sort_fields_widgets[i].setCurrentIndex(0)
for f in self.sort_fields_widgets:
f.blockSignals(False)
for f in self.sort_order_widgets:
f.blockSignals(False)
def group_column_selected(self, idx):
self.tableView.setSelectionMode(QAbstractItemView.ExtendedSelection)
def updateMenubar(self):
undoInfo = self.model.infoLastAction()
redoInfo = self.model.infoRedoAction()
self.undoAction.setEnabled(undoInfo is not None)
self.redoAction.setEnabled(redoInfo is not None)
if undoInfo:
self.undoAction.setText("Undo: %s" % undoInfo)
if redoInfo:
self.redoAction.setText("Redo: %s" % redoInfo)
def setupViewForTable(self, i):
for j, action in enumerate(self.chooseTableActions):
txt = unicode(action.text()) # QString -> Python unicode
if txt.startswith("*"):
txt = " " + txt[1:]
action.setText(txt)
if i == j:
action.setText("*" + txt[1:])
self.table_view_container.setCurrentIndex(i)
self.filter_widgets_container.setCurrentIndex(i)
if self.model is not None:
self.disconnectModelSignals()
self.model = self.models[i]
self.current_filter_widget = self.filterWidgets[i]
self.tableView = self.tableViews[i]
hidden = self.model.table.meta.get("hide_in_explorer", ())
self.update_hidden_columns(hidden)
try:
shown = self.model.load_preset_hidden_column_names()
hidden = list(set(self.model.table.getColNames()) - shown)
self.update_hidden_columns(hidden)
except Exception:
pass
self.setup_model_dependent_look()
if self.allow_integration:
self.model.setNonEditable("method", ["area", "rmse", "method", "params"])
for col_name in self.model.table.getColNames():
t = self.model.table.getColType(col_name)
if t in (list, tuple, object, dict, set) or t is None or has_inspector(t):
self.model.addNonEditable(col_name)
mod = self.model
postfixes = mod.table.supportedPostfixes(mod.integrationColNames())
self.integration_widget.set_postfixes(postfixes)
self.setup_choose_group_column_widget(hidden)
self.setup_sort_fields(hidden)
self.connectModelSignals()
self.updateMenubar()
self.set_window_title(self.model.table)
def setup_choose_group_column_widget(self, hidden_names):
before = None
if self.chooseGroupColumn.currentIndex() >= 0:
before = str(self.chooseGroupColumn.currentText())
self.chooseGroupColumn.clear()
t = self.model.table
candidates = [n for (n, f) in zip(t.getColNames(), t.getColFormats()) if f is not None]
visible_names = [n for n in candidates if n not in hidden_names]
all_choices = ["- manual multi select -"] + sorted(visible_names)
self.chooseGroupColumn.addItems(all_choices)
if before is not None and before in all_choices:
idx = all_choices.index(before)
self.chooseGroupColumn.setCurrentIndex(idx)
def setup_sort_fields(self, hidden_names):
before = []
for field in self.sort_fields_widgets:
if field.currentIndex() >= 0:
before.append(str(field.currentText()))
else:
before.append(None)
t = self.model.table
candidates = [n for (n, f) in zip(t.getColNames(), t.getColFormats()) if f is not None]
visible_names = [n for n in candidates if n not in hidden_names]
all_choices = ["-"] + visible_names
for field in self.sort_fields_widgets:
field.clear()
field.addItems(all_choices)
for choice_before, field in zip(before, self.sort_fields_widgets):
if choice_before is not None and choice_before in all_choices:
idx = all_choices.index(choice_before)
field.setCurrentIndex(idx)
@protect_signal_handler
def handle_model_reset(self):
for name in self.model.table.getColNames():
self.current_filter_widget.update(name)
def reset_sort_fields(self):
for field in self.sort_fields_widgets:
field.setCurrentIndex(0)
@protect_signal_handler
def dataChanged(self, ix1, ix2, src):
minr, maxr = sorted((ix1.row(), ix2.row()))
minc, maxc = sorted((ix1.column(), ix2.column()))
for r in range(minr, maxr + 1):
for c in range(minc, maxc + 1):
idx = self.model.createIndex(r, c)
self.tableView.update(idx)
minc = self.model.widgetColToDataCol[minc]
maxc = self.model.widgetColToDataCol[maxc]
minr = self.model.widgetRowToDataRow[minr]
maxr = self.model.widgetRowToDataRow[maxr]
for name in self.model.table.getColNames()[minc:maxc + 1]:
self.current_filter_widget.update(name)
if self.has_chromatograms:
# minr, maxr = sorted((ix1.row(), ix2.row()))
if any(minr <= index <= maxr for index in self.model.selected_data_rows):
if isinstance(src, IntegrateAction):
self.plot_chromatograms(reset=False)
else:
self.plot_chromatograms(reset=True)
self.reset_sort_fields()
@protect_signal_handler
def abort(self):
self.result = 1
self.close()
@protect_signal_handler
def ok(self):
self.result = 0
self.close()
@protect_signal_handler
def openContextMenu(self, point):
idx = self.tableView.verticalHeader().logicalIndexAt(point)
menu = QMenu()
cloneAction = menu.addAction("Clone row")
removeAction = menu.addAction("Delete row")
undoInfo = self.model.infoLastAction()
redoInfo = self.model.infoRedoAction()
if undoInfo is not None:
undoAction = menu.addAction("Undo %s" % undoInfo)
if redoInfo is not None:
redoAction = menu.addAction("Redo %s" % redoInfo)
appearAt = self.tableView.verticalHeader().mapToGlobal(point)
choosenAction = menu.exec_(appearAt)
if choosenAction == removeAction:
self.model.removeRows([idx])
elif choosenAction == cloneAction:
self.model.cloneRow(idx)
elif undoInfo is not None and choosenAction == undoAction:
self.model.undoLastAction()
elif redoInfo is not None and choosenAction == redoAction:
self.model.redoLastAction()
@protect_signal_handler
def do_integrate(self, method, postfix):
# QString -> Python str:
method = str(method)
postfix = str(postfix)
rtmin, rtmax = self.eic_plotter.get_range_selection_limits()
for data_row_idx in self.model.selected_data_rows:
self.model.integrate(postfix, data_row_idx, method, rtmin, rtmax)
@protect_signal_handler
def rowClicked(self, widget_row_idx):
self.select_rows_in_group(widget_row_idx)
self.setup_spectrum_chooser()
if self.eic_only_mode:
self.plot_eics_only()
if self.has_chromatograms:
self.plot_chromatograms()
if self.has_time_series:
self.plot_time_series()
def select_rows_in_group(self, widget_row_idx):
group_by_idx = self.chooseGroupColumn.currentIndex()
# first entry is "manual selection"
if group_by_idx == 0:
to_select = [idx.row() for idx in self.tableView.selectionModel().selectedRows()]
self.model.set_selected_data_rows(to_select)
return
col_name = str(self.chooseGroupColumn.currentText())
widget_rows = self.model.rows_with_same_value(col_name, widget_row_idx)
to_select = widget_rows[:200] # avoid to many rows
# expand selection
mode_before = self.tableView.selectionMode()
scrollbar_before = self.tableView.verticalScrollBar().value()
self.tableView.setSelectionMode(QAbstractItemView.MultiSelection)
for i in to_select:
if i != widget_row_idx: # avoid "double click !" wich de-selects current row
self.tableView.selectRow(i)
self.tableView.setSelectionMode(mode_before)
self.tableView.verticalScrollBar().setValue(scrollbar_before)
self.model.set_selected_data_rows(to_select)
def setup_spectrum_chooser(self):
self.choose_spec.clear()
spectra = []
labels = []
if self.has_chromatograms:
labels.append("spectra from peak")
spectra.append(None) # place holder as ms1 spec is computed from peakmap on demand !
self.first_spec_in_choser_is_ms1 = True
else:
self.first_spec_in_choser_is_ms1 = False
num_extra_spectra = 0
for idx in self.model.selected_data_rows:
pf, s = self.model.getMS2Spectra(idx)
for pfi, si in zip(pf, s):
if si is not None:
for sii in si:
label = "spectra%s rt=%.2fm" % (pfi, sii.rt / 60.0)
if sii.precursors:
mz, I = sii.precursors[0]
label += " pre=(%.5f, %.2e)" % (mz, I)
labels.append(label)
spectra.append(sii)
num_extra_spectra += 1
self.spectra_listed_in_chooser = spectra
self.choose_spec.setVisible(len(spectra) > 0)
for label in labels:
self.choose_spec.addItem(label)
if self.first_spec_in_choser_is_ms1:
self.choose_spec.setCurrentRow(0)
else:
self.choose_spec.selectAll()
def plot_time_series(self):
rtmin, rtmax, time_series = time_series_curves(self.model)
ts_configs = configsForTimeSeries(time_series)
self.ts_plotter.del_all_items()
self.ts_plotter.reset()
self.ts_plotter.add_time_series(time_series, ts_configs)
self.ts_plotter.replot()
def plot_eics_only(self):
if self.eic_only_mode:
rtmin, rtmax, curves = eic_curves(self.model)
configs = configsForEics(curves)
self.eic_plotter.reset()
self.eic_plotter.add_eics(curves, configs=configs, labels=None)
self.eic_plotter.replot()
def plot_chromatograms(self, reset=True):
self.eic_plotter.del_all_items()
rtmin, rtmax, mzmin, mzmax, curves, fit_shapes = chromatograms(
self.model, self.allow_integration)
configs = configsForEics(curves)
self.eic_plotter.add_eics(curves, configs=configs)
for ((rts, iis), baseline), config in zip(fit_shapes, configs):
if baseline is None:
baseline = 0.0
eic_color = config["color"]
color = turn_light(eic_color)
self.eic_plotter.add_eic_filled(rts, iis, baseline, color)
# allrts are sorted !
if rtmin is not None and rtmax is not None:
w = rtmax - rtmin
if w == 0:
w = 30.0 # seconds
if reset:
self.eic_plotter.set_rt_axis_limits(rtmin - w, rtmax + w)
self.eic_plotter.set_range_selection_limits(rtmin, rtmax)
self.eic_plotter.reset_intensity_limits(fac=1.1, rtmin=rtmin - w, rtmax=rtmax + w)
self.eic_plotter.replot()
reset = reset and mzmin is not None and mzmax is not None
limits = (mzmin, mzmax) if reset else None
@protect_signal_handler
def spectrumChosen(self):
spectra = [self.spectra_listed_in_chooser[idx.row()]
for idx in self.choose_spec.selectedIndexes()]
labels = [str(item.data(0).toString()) for item in self.choose_spec.selectedItems()]
ms2_data = [(l, s) for (l, s) in zip(labels, spectra) if s is not None and l is not None]
if ms2_data:
labels, spectra = zip(*ms2_data) # unzip, works only if ms2_data is not empty
self.mz_plotter.plot_spectra([s.peaks for s in spectra], labels)
self.mz_plotter.resetAxes()
self.mz_plotter.replot()
else:
self.plot_ms1_spectra()
def eic_selection_changed(self, rtmin, rtmax):
if not self.first_spec_in_choser_is_ms1:
return
self.choose_spec.setCurrentRow(0)
peakmaps = [
pm for idx in self.model.selected_data_rows for pm in self.model.getPeakmaps(idx)]
windows = []
for idx in self.model.selected_data_rows:
for (__, __, mzmin, mzmax) in self.model.getEICWindows(idx):
window = (rtmin, rtmax, mzmin, mzmax)
windows.append(window)
self.plot_spectra_from_peakmaps(peakmaps, windows)
def plot_ms1_spectra(self):
peakmaps = [
pm for idx in self.model.selected_data_rows for pm in self.model.getPeakmaps(idx)]
windows = [
w for idx in self.model.selected_data_rows for w in self.model.getEICWindows(idx)]
self.plot_spectra_from_peakmaps(peakmaps, windows)
def plot_ms2_spectra(self, spectra, labels):
self.mz_plotter.plot_spectra([s.peaks for s in spectra], labels)
self.mz_plotter.resetAxes()
self.mz_plotter.replot()
def plot_spectra_from_peakmaps(self, peakmaps, windows):
if not peakmaps or not windows:
return
data = []
mzs = []
for (rtmin, rtmax, mzmin, mzmax), pm in zip(windows, peakmaps):
mzs.append(mzmin)
mzs.append(mzmax)
data.append((pm, rtmin, rtmax, mzmin, mzmax, 3000))
mzmin = min(mzs)
mzmax = max(mzs)
configs = configsForSpectra(len(peakmaps))
postfixes = self.model.table.supportedPostfixes(self.model.eicColNames())
titles = map(repr, postfixes)
self.mz_plotter.plot_peakmaps(data, configs, titles if len(titles) > 1 else None)
self.mz_plotter.reset_mz_limits(mzmin, mzmax)
self.mz_plotter.replot()
