def __init__(self,
auto_resize=False,
single_row_select=True,
context_menu_callback=None,
last_column_stretch=True,
has_counters=False,
parent=None
):
QFrame.__init__(self, parent)
self._has_counters = has_counters
self.model = None
self.table_view = RowTableView(auto_resize, single_row_select, context_menu_callback, last_column_stretch)
self.table_view.doubleClicked.connect(self._double_clicked)
if has_counters:
self.counters = Counters()
self.counters.button_clicked.connect(self._counter_clicked)
self.search_bar = QLineEdit()
self.search_bar.setFixedHeight(SEARCHBAR_HEIGHT)
self.search_bar.textChanged.connect(self.set_search_text)
self.search_bar.setToolTip("Search bar")
self.auto_size_button = QPushButton('<>')
self.auto_size_button.setFixedSize(SEARCHBAR_HEIGHT, SEARCHBAR_HEIGHT)
self.auto_size_button.clicked.connect(self._auto_size_clicked)
self.auto_size_button.setToolTip("Auto size")
self.status_label = QLabel(STATUS_LABEL_MESSAGE.format(0, 0))
self.status_label.setFixedWidth(STATUS_LABEL_WIDTH)
self.progress_bar = QProgressBar()
self.progress_bar.setFormat('')
layout = QGridLayout()
layout.addWidget(self.search_bar, 0, 0, 1, 3)
layout.addWidget(self.auto_size_button, 0, 3)
if has_counters:
layout.addWidget(self.counters, 1, 0, 1, 2)
layout.addWidget(self.table_view, 1, 2, 1, 2)
else:
layout.addWidget(self.table_view, 1, 0, 1, 4)
layout.addWidget(self.status_label, 2, 0)
layout.addWidget(self.progress_bar, 2, 1, 1, 3)
layout.setColumnStretch(2, 100)
self.setLayout(layout)
def __init__(self, name, report, parent=None):
QDialog.__init__(self, parent)
icon = self.style().standardIcon(QStyle.SP_MessageBoxCritical)
self.setWindowTitle('Error reporting')
self.setWindowIcon(icon)
try:
font = QFontDatabase().systemFont(QFontDatabase.FixedFont)
except AttributeError as e:
font = QFont()
font.setStyleHint(QFont.TypeWriter)
self.text = QPlainTextEdit()
self.text.setFont(font)
self.text.setReadOnly(True)
self.text.setLineWrapMode(QPlainTextEdit.NoWrap)
self.text.setPlainText(report)
TracebackHighlighter(self.text.document())
icon_label = QLabel()
icon_label.setPixmap(icon.pixmap(ICON_SIZE, ICON_SIZE))
label = QLabel("{} error !".format(name))
label.setFont(QFont('default', pointSize=14))
button_copy = QPushButton('Copy to clipboard')
button_copy.clicked.connect(self._copy)
layout = QGridLayout(self)
layout.addWidget(icon_label, 0, 0)
layout.addWidget(label, 0, 1)
layout.addWidget(self.text, 1, 0, 1, 2)
layout.addWidget(button_copy, 2, 0, 1, 2)
layout.setColumnStretch(1, 100)
self.setModal(True)
self.resize(600, 400)
def _build_ui(self):
layout = QGridLayout()
tabs = QTabWidget()
layout.addWidget(tabs)
ts_bond_tab = QWidget()
ts_options = QFormLayout(ts_bond_tab)
self.tsbond_color = ColorButton(has_alpha_channel=False,
max_size=(16, 16))
self.tsbond_color.set_color(self.settings.tsbond_color)
ts_options.addRow("color:", self.tsbond_color)
self.tsbond_transparency = QSpinBox()
self.tsbond_transparency.setRange(1, 99)
self.tsbond_transparency.setValue(self.settings.tsbond_transparency)
self.tsbond_transparency.setSuffix("%")
ts_options.addRow("transparency:", self.tsbond_transparency)
self.tsbond_radius = QDoubleSpinBox()
self.tsbond_radius.setRange(0.01, 1)
self.tsbond_radius.setDecimals(3)
self.tsbond_radius.setSingleStep(0.005)
self.tsbond_radius.setSuffix(" \u212B")
self.tsbond_radius.setValue(self.settings.tsbond_radius)
ts_options.addRow("radius:", self.tsbond_radius)
draw_tsbonds = QPushButton("draw TS bonds on selected atoms/bonds")
draw_tsbonds.clicked.connect(self.run_tsbond)
ts_options.addRow(draw_tsbonds)
self.draw_tsbonds = draw_tsbonds
erase_tsbonds = QPushButton("erase selected TS bonds")
erase_tsbonds.clicked.connect(self.run_erase_tsbond)
ts_options.addRow(erase_tsbonds)
self.erase_tsbonds = erase_tsbonds
bond_tab = QWidget()
bond_options = QFormLayout(bond_tab)
self.bond_halfbond = QCheckBox()
self.bond_halfbond.setChecked(self.settings.bond_halfbond)
self.bond_halfbond.setToolTip(
"each half of the bond will be colored according to the atom's color"
)
bond_options.addRow("half-bond:", self.bond_halfbond)
self.bond_color = ColorButton(has_alpha_channel=True,
max_size=(16, 16))
self.bond_color.set_color(self.settings.bond_color)
self.bond_color.setEnabled(
self.bond_halfbond.checkState() != Qt.Checked)
self.bond_halfbond.stateChanged.connect(
lambda state, widget=self.bond_color: self.bond_color.setEnabled(
state != Qt.Checked))
bond_options.addRow("color:", self.bond_color)
self.bond_radius = QDoubleSpinBox()
self.bond_radius.setRange(0.01, 1)
self.bond_radius.setDecimals(3)
self.bond_radius.setSingleStep(0.005)
self.bond_radius.setSuffix(" \u212B")
self.bond_radius.setValue(self.settings.bond_radius)
bond_options.addRow("radius:", self.bond_radius)
draw_tsbonds = QPushButton("draw bond between selected atoms")
draw_tsbonds.clicked.connect(self.run_bond)
bond_options.addRow(draw_tsbonds)
self.draw_tsbonds = draw_tsbonds
erase_bonds = QPushButton("erase selected bonds")
erase_bonds.clicked.connect(
lambda *, ses=self.session: run(ses, "delete bonds sel"))
bond_options.addRow(erase_bonds)
self.erase_bonds = erase_bonds
hbond_tab = QWidget()
hbond_options = QFormLayout(hbond_tab)
self.hbond_color = ColorButton(has_alpha_channel=True,
max_size=(16, 16))
self.hbond_color.set_color(self.settings.hbond_color)
hbond_options.addRow("color:", self.hbond_color)
self.hbond_radius = QDoubleSpinBox()
self.hbond_radius.setDecimals(3)
self.hbond_radius.setSuffix(" \u212B")
self.hbond_radius.setValue(self.settings.hbond_radius)
hbond_options.addRow("radius:", self.hbond_radius)
self.hbond_dashes = QSpinBox()
self.hbond_dashes.setRange(0, 28)
self.hbond_dashes.setSingleStep(2)
self.hbond_radius.setSingleStep(0.005)
self.hbond_dashes.setValue(self.settings.hbond_dashes)
hbond_options.addRow("dashes:", self.hbond_dashes)
draw_hbonds = QPushButton("draw H-bonds")
draw_hbonds.clicked.connect(self.run_hbond)
hbond_options.addRow(draw_hbonds)
self.draw_hbonds = draw_hbonds
erase_hbonds = QPushButton("erase all H-bonds")
erase_hbonds.clicked.connect(
lambda *, ses=self.session: run(ses, "~hbonds"))
hbond_options.addRow(erase_hbonds)
self.erase_hbonds = erase_hbonds
tm_bond_tab = QWidget()
tm_bond_options = QFormLayout(tm_bond_tab)
self.tm_bond_color = ColorButton(has_alpha_channel=True,
max_size=(16, 16))
self.tm_bond_color.set_color(self.settings.tm_bond_color)
tm_bond_options.addRow("color:", self.tm_bond_color)
self.tm_bond_radius = QDoubleSpinBox()
self.tm_bond_radius.setDecimals(3)
self.tm_bond_radius.setSuffix(" \u212B")
self.tm_bond_radius.setValue(self.settings.tm_bond_radius)
tm_bond_options.addRow("radius:", self.tm_bond_radius)
self.tm_bond_dashes = QSpinBox()
self.tm_bond_dashes.setRange(0, 28)
self.tm_bond_dashes.setSingleStep(2)
self.tm_bond_radius.setSingleStep(0.005)
self.tm_bond_dashes.setValue(self.settings.tm_bond_dashes)
tm_bond_options.addRow("dashes:", self.tm_bond_dashes)
draw_tm_bonds = QPushButton("draw metal coordination bonds")
draw_tm_bonds.clicked.connect(self.run_tm_bond)
tm_bond_options.addRow(draw_tm_bonds)
self.draw_tm_bonds = draw_tm_bonds
erase_tm_bonds = QPushButton("erase all metal coordination bonds")
erase_tm_bonds.clicked.connect(self.del_tm_bond)
tm_bond_options.addRow(erase_tm_bonds)
self.erase_tm_bonds = erase_tm_bonds
bond_length_tab = QWidget()
bond_length_layout = QFormLayout(bond_length_tab)
self.bond_distance = QDoubleSpinBox()
self.bond_distance.setRange(0.5, 10.0)
self.bond_distance.setSingleStep(0.05)
self.bond_distance.setValue(1.51)
self.bond_distance.setSuffix(" \u212B")
bond_length_layout.addRow("bond length:", self.bond_distance)
self.move_fragment = QComboBox()
self.move_fragment.addItems(["both", "smaller", "larger"])
bond_length_layout.addRow("move side:", self.move_fragment)
bond_lookup = QGroupBox("bond length lookup:")
bond_lookup_layout = QGridLayout(bond_lookup)
bond_lookup_layout.addWidget(
QLabel("elements:"),
0,
0,
)
self.ele1 = ElementButton("C", single_state=True)
self.ele1.clicked.connect(
lambda *args, button=self.ele1: self.open_ptable(button))
bond_lookup_layout.addWidget(self.ele1, 0, 1,
Qt.AlignRight | Qt.AlignTop)
bond_lookup_layout.addWidget(QLabel("-"), 0, 2,
Qt.AlignHCenter | Qt.AlignVCenter)
self.ele2 = ElementButton("C", single_state=True)
self.ele2.clicked.connect(
lambda *args, button=self.ele2: self.open_ptable(button))
bond_lookup_layout.addWidget(self.ele2, 0, 3,
Qt.AlignLeft | Qt.AlignTop)
bond_lookup_layout.addWidget(QLabel("bond order:"), 1, 0)
self.bond_order = BondOrderSpinBox()
self.bond_order.setRange(1., 3.)
self.bond_order.setValue(1)
self.bond_order.setSingleStep(0.5)
self.bond_order.setDecimals(1)
self.bond_order.valueChanged.connect(self.check_bond_lengths)
bond_lookup_layout.addWidget(self.bond_order, 1, 1, 1, 3)
bond_lookup_layout.setColumnStretch(0, 0)
bond_lookup_layout.setColumnStretch(1, 0)
bond_lookup_layout.setColumnStretch(2, 0)
bond_lookup_layout.setColumnStretch(3, 1)
bond_length_layout.addRow(bond_lookup)
self.status = QStatusBar()
self.status.setSizeGripEnabled(False)
bond_lookup_layout.addWidget(self.status, 2, 0, 1, 4)
self.do_bond_change = QPushButton("change selected bond lengths")
self.do_bond_change.clicked.connect(self.change_bond_length)
bond_length_layout.addRow(self.do_bond_change)
tabs.addTab(bond_tab, "covalent bonds")
tabs.addTab(ts_bond_tab, "TS bonds")
tabs.addTab(hbond_tab, "H-bonds")
tabs.addTab(tm_bond_tab, "coordination bonds")
tabs.addTab(bond_length_tab, "bond length")
self.tool_window.ui_area.setLayout(layout)
self.tool_window.manage(None)
def _build_ui(self):
layout = QGridLayout()
tab_widget = QTabWidget()
layout.addWidget(tab_widget)
structure_widget = QWidget()
structure_layout = QGridLayout(structure_widget)
tab_widget.addTab(structure_widget, "structure")
self.structure_source = QComboBox()
self.structure_source.addItems(
["AARON template", "file", "coordination complexes", "SMILES"])
structure_layout.addWidget(QLabel("structure source:"), 0, 0, 1, 1,
Qt.AlignLeft | Qt.AlignVCenter)
structure_layout.addWidget(
self.structure_source,
0,
1,
1,
1,
)
open_button = QPushButton("open")
open_button.clicked.connect(self.open_template)
structure_layout.addWidget(
open_button,
0,
2,
1,
1,
)
# SMILES options
self.smiles_options = QGroupBox("SMILES options")
smiles_layout = QFormLayout(self.smiles_options)
structure_layout.addWidget(self.smiles_options, 1, 0, 1, 3,
Qt.AlignTop | Qt.AlignHCenter)
self.smiles_line = QLineEdit()
smiles_layout.addRow("SMILES string:", self.smiles_line)
self.smiles_options.setVisible(
self.structure_source.currentText() == "SMILES")
self.structure_source.currentTextChanged.connect(
lambda text: self.smiles_options.setVisible(text == "SMILES"))
# coordination complexes options
self.coord_comp_options = QGroupBox("Coordination Complex Options")
coord_layout = QFormLayout(self.coord_comp_options)
structure_layout.addWidget(self.coord_comp_options, 1, 0, 1, 3,
Qt.AlignTop | Qt.AlignHCenter)
create_coord_items(self,
coord_layout,
allow_minimization=False,
default_ele="Pd")
self.coord_comp_options.setVisible(
self.structure_source.currentText() == "coordination complexes")
self.structure_source.currentTextChanged.connect(
lambda text: self.coord_comp_options.setVisible(
text == "coordination complexes"))
# aaron template options
self.aaron_options = QGroupBox("AARON template structures")
aaron_layout = QFormLayout(self.aaron_options)
structure_layout.addWidget(self.aaron_options, 1, 0, 1, 3,
Qt.AlignTop | Qt.AlignHCenter)
self.aaron_options.setVisible(
self.structure_source.currentText() == "AARON template")
self.structure_source.currentTextChanged.connect(
lambda text: self.aaron_options.setVisible(text == "AARON template"
))
# file options
self.file_options = QGroupBox("single file options")
file_layout = QFormLayout(self.file_options)
structure_layout.addWidget(self.file_options, 1, 0, 1, 3,
Qt.AlignTop | Qt.AlignHCenter)
file_widget = QWidget()
file_browse_layout = QGridLayout(file_widget)
self.template_file = QLineEdit()
file_browse_layout.addWidget(self.template_file, 0, 0, 1, 1,
Qt.AlignCenter)
browse_button = QPushButton("browse...")
# browse_button.clicked.connect(self.browse_file_template)
file_browse_layout.addWidget(browse_button, 0, 1, 1, 1, Qt.AlignCenter)
file_browse_layout.setColumnStretch(0, 1)
file_browse_layout.setColumnStretch(1, 0)
margins = file_browse_layout.contentsMargins()
file_browse_layout.setContentsMargins(margins.left(), 0,
margins.right(), 0)
file_layout.addRow("file:", file_widget)
self.file_options.setVisible(
self.structure_source.currentText() == "file")
self.structure_source.currentTextChanged.connect(
lambda text: self.file_options.setVisible(text == "file"))
self.optimize_template = QCheckBox()
self.optimize_template.setCheckState(Qt.Checked)
structure_layout.addWidget(
QLabel("optimize template:"),
2,
0,
1,
1,
Qt.AlignLeft | Qt.AlignVCenter,
)
structure_layout.addWidget(
self.optimize_template,
2,
1,
1,
2,
Qt.AlignLeft | Qt.AlignVCenter,
)
structure_layout.setColumnStretch(0, 0)
structure_layout.setColumnStretch(1, 1)
structure_layout.setColumnStretch(2, 0)
# structure changes
changes_widget = QWidget()
changes_layout = QGridLayout(changes_widget)
tab_widget.addTab(changes_widget, "changes")
# HPC settings
hpc_widget = QWidget()
hpc_layout = QGridLayout(hpc_widget)
tab_widget.addTab(hpc_widget, "HPC")
# theory settings
theory_widget = QWidget()
theory_layout = QGridLayout(theory_widget)
tab_widget.addTab(theory_widget, "theory")
# results
results_widget = QWidget()
results_layout = QGridLayout(results_widget)
tab_widget.addTab(results_widget, "results")
self.tool_window.ui_area.setLayout(layout)
self.tool_window.manage(None)
def _build_ui(self):
layout = QGridLayout()
layout.addWidget(QLabel("center of rotation:"), 0, 0, 1, 1,
Qt.AlignLeft | Qt.AlignVCenter)
self.cor_button = QComboBox()
self.cor_button.addItems(
["automatic", "select atoms", "view's center of rotation"])
layout.addWidget(self.cor_button, 0, 1, 1, 1, Qt.AlignTop)
self.set_cor_selection = QPushButton("set selection")
self.cor_button.currentTextChanged.connect(
lambda t, widget=self.set_cor_selection: widget.setEnabled(
t == "select atoms"))
self.set_cor_selection.clicked.connect(self.manual_cor)
layout.addWidget(self.set_cor_selection, 0, 2, 1, 1, Qt.AlignTop)
self.set_cor_selection.setEnabled(False)
layout.addWidget(QLabel("rotation vector:"), 1, 0, 1, 1,
Qt.AlignLeft | Qt.AlignVCenter)
self.vector_option = QComboBox()
self.vector_option.addItems([
"axis", "view axis", "bond", "perpendicular to plane",
"centroid of atoms", "custom"
])
layout.addWidget(self.vector_option, 1, 1, 1, 1, Qt.AlignVCenter)
vector = QWidget()
vector.setToolTip("vector will be normalized before rotating")
vector_layout = QHBoxLayout(vector)
vector_layout.setContentsMargins(0, 0, 0, 0)
self.vector_x = QDoubleSpinBox()
self.vector_y = QDoubleSpinBox()
self.vector_z = QDoubleSpinBox()
self.vector_z.setValue(1.0)
for c, t in zip([self.vector_x, self.vector_y, self.vector_z],
[" x", " y", " z"]):
c.setSingleStep(0.01)
c.setRange(-100, 100)
# c.setSuffix(t)
c.valueChanged.connect(self.show_rot_vec)
vector_layout.addWidget(c)
layout.addWidget(vector, 1, 2, 1, 1, Qt.AlignTop)
vector.setVisible(self.vector_option.currentText() == "custom")
self.vector_option.currentTextChanged.connect(
lambda text, widget=vector: widget.setVisible(text == "custom"))
self.view_axis = QComboBox()
self.view_axis.addItems(["z", "y", "x"])
layout.addWidget(self.view_axis, 1, 2, 1, 1, Qt.AlignTop)
self.view_axis.setVisible(
self.vector_option.currentText() == "view axis")
self.vector_option.currentTextChanged.connect(
lambda text, widget=self.view_axis: widget.setVisible(text ==
"view axis"))
self.axis = QComboBox()
self.axis.addItems(["z", "y", "x"])
layout.addWidget(self.axis, 1, 2, 1, 1, Qt.AlignTop)
self.axis.setVisible(self.vector_option.currentText() == "axis")
self.vector_option.currentTextChanged.connect(
lambda text, widget=self.axis: widget.setVisible(text == "axis"))
self.bond_button = QPushButton("set selected bond")
self.bond_button.clicked.connect(self.set_bonds)
layout.addWidget(self.bond_button, 1, 2, 1, 1, Qt.AlignTop)
self.bond_button.setVisible(self.vector_option.currentText() == "bond")
self.vector_option.currentTextChanged.connect(
lambda text, widget=self.bond_button: widget.setVisible(text ==
"bond"))
self.perp_button = QPushButton("set selected atoms")
self.perp_button.clicked.connect(self.set_perpendicular)
layout.addWidget(self.perp_button, 1, 2, 1, 1, Qt.AlignTop)
self.perp_button.setVisible(
self.vector_option.currentText() == "perpendicular to plane")
self.vector_option.currentTextChanged.connect(
lambda text, widget=self.perp_button: widget.setVisible(
text == "perpendicular to plane"))
self.group_button = QPushButton("set selected atoms")
self.group_button.clicked.connect(self.set_group)
layout.addWidget(self.group_button, 1, 2, 1, 1, Qt.AlignTop)
self.group_button.setVisible(
self.vector_option.currentText() == "centroid of atoms")
self.vector_option.currentTextChanged.connect(
lambda text, widget=self.group_button: widget.setVisible(
text == "centroid of atoms"))
layout.addWidget(QLabel("angle:"), 2, 0, 1, 1,
Qt.AlignLeft | Qt.AlignVCenter)
self.angle = QDoubleSpinBox()
self.angle.setRange(-360, 360)
self.angle.setSingleStep(5)
self.angle.setSuffix("°")
layout.addWidget(self.angle, 2, 1, 1, 1,
Qt.AlignLeft | Qt.AlignVCenter)
layout.addWidget(QLabel("preview rotation axis:"), 3, 0, 1, 1,
Qt.AlignLeft | Qt.AlignVCenter)
self.display_rot_vec = QCheckBox()
self.display_rot_vec.setCheckState(Qt.Checked)
self.display_rot_vec.stateChanged.connect(self.show_rot_vec)
layout.addWidget(self.display_rot_vec, 3, 1, 1, 1,
Qt.AlignLeft | Qt.AlignVCenter)
rotate_button = QPushButton("rotate selected atoms")
rotate_button.clicked.connect(self.do_rotate)
layout.addWidget(rotate_button, 4, 0, 1, 3, Qt.AlignTop)
self.rotate_button = rotate_button
self.status_bar = QStatusBar()
self.status_bar.setSizeGripEnabled(False)
layout.addWidget(self.status_bar, 5, 0, 1, 3, Qt.AlignTop)
self.vector_option.currentTextChanged.connect(self.show_auto_status)
self.cor_button.currentIndexChanged.connect(
lambda *args: self.show_auto_status("select atoms"))
self.cor_button.currentIndexChanged.connect(self.show_rot_vec)
self.set_cor_selection.clicked.connect(self.show_rot_vec)
self.vector_option.currentIndexChanged.connect(self.show_rot_vec)
self.axis.currentIndexChanged.connect(self.show_rot_vec)
self.view_axis.currentIndexChanged.connect(self.show_rot_vec)
self.bond_button.clicked.connect(self.show_rot_vec)
self.perp_button.clicked.connect(self.show_rot_vec)
self.group_button.clicked.connect(self.show_rot_vec)
layout.setRowStretch(0, 0)
layout.setRowStretch(1, 0)
layout.setRowStretch(2, 0)
layout.setRowStretch(3, 0)
layout.setRowStretch(4, 0)
layout.setRowStretch(5, 1)
layout.setColumnStretch(0, 0)
layout.setColumnStretch(1, 1)
layout.setColumnStretch(2, 1)
self.tool_window.ui_area.setLayout(layout)
self.tool_window.manage(None)
def _build_ui(self):
layout = QGridLayout()
layout.setContentsMargins(0, 0, 0, 0)
layout.setSpacing(0)
self.tree = QTreeWidget()
self.tree.setSelectionMode(QTreeWidget.ExtendedSelection)
self.tree.setHeaderLabels([
"name", "status", "server", "prioritize", "kill", "delete",
"browse"
])
self.tree.setUniformRowHeights(True)
self.tree.setColumnWidth(0, 150)
layout.addWidget(self.tree, 0, 0, 6, 1, Qt.AlignTop)
row = 0
pause_button = QPushButton(
"pause new jobs"
if not self.session.seqcrow_job_manager.paused else "resume jobs")
pause_button.setCheckable(True)
pause_button.clicked.connect(lambda check: pause_button.setText(
"pause new jobs" if not check else "resume jobs"))
pause_button.setChecked(self.session.seqcrow_job_manager.paused)
pause_button.clicked.connect(self.pause_queue)
layout.addWidget(pause_button, row, 1, 1, 1, Qt.AlignTop)
row += 1
open_button = QPushButton("open structure")
open_button.clicked.connect(self.open_jobs)
layout.addWidget(open_button, row, 1, 1, 1, Qt.AlignTop)
row += 1
log_button = QPushButton("log")
log_button.clicked.connect(self.open_log)
layout.addWidget(log_button, row, 1, 1, 1, Qt.AlignTop)
row += 1
output_button = QPushButton("raw output")
output_button.clicked.connect(self.open_output)
layout.addWidget(output_button, row, 1, 1, 1, Qt.AlignTop)
row += 1
refresh_button = QToolButton()
refresh_button.setSizePolicy(QSizePolicy.Fixed,
QSizePolicy.MinimumExpanding)
refresh_button.setToolButtonStyle(Qt.ToolButtonTextBesideIcon)
refresh_button.setIcon(
QIcon(refresh_button.style().standardIcon(
QStyle.SP_BrowserReload)))
refresh_button.setText('check jobs')
refresh_button.clicked.connect(
lambda *args: self.session.seqcrow_job_manager.triggers.
activate_trigger(JOB_QUEUED, "refresh"))
layout.addWidget(refresh_button, row, 1, 1, 1, Qt.AlignTop)
row += 1
for i in range(0, row - 1):
layout.setRowStretch(i, 0)
layout.setRowStretch(row - 1, 1)
layout.setColumnStretch(0, 1)
layout.setColumnStretch(1, 0)
self.tool_window.ui_area.setLayout(layout)
self.tool_window.manage(None)
def fill_tree(self, trigger_name=None, trigger_job=None):
item_stack = [self.tree.invisibleRootItem()]
self.tree.clear()
jobs = self.session.seqcrow_job_manager.jobs
for job in jobs:
name = job.name
parent = item_stack[0]
item = QTreeWidgetItem(parent)
item_stack.append(item)
item.setData(self.NAME_COL, Qt.DisplayRole, job)
item.setText(self.NAME_COL, name)
if isinstance(job, LocalJob):
if job.killed:
item.setText(self.STATUS_COL, "killed")
del_job_widget = QWidget()
del_job_layout = QGridLayout(del_job_widget)
del_job = QPushButton()
del_job.clicked.connect(
lambda *args, job=job: self.remove_job(job))
del_job.setIcon(
QIcon(del_job_widget.style().standardIcon(
QStyle.SP_DialogDiscardButton)))
del_job.setFlat(True)
del_job_layout.addWidget(del_job, 0, 0, 1, 1,
Qt.AlignHCenter)
del_job_layout.setColumnStretch(0, 1)
del_job_layout.setContentsMargins(0, 0, 0, 0)
self.tree.setItemWidget(item, self.DEL_COL, del_job_widget)
elif job.isRunning():
if job in self.session.seqcrow_job_manager.unknown_status_jobs:
unk_widget = QWidget()
unk_layout = QGridLayout(unk_widget)
unk = QPushButton()
unk.setIcon(
QIcon(unk_widget.style().standardIcon(
QStyle.SP_MessageBoxQuestion)))
unk.setFlat(True)
unk.clicked.connect(lambda *args, job=job: self.
show_ask_if_running(job))
unk_layout.addWidget(unk, 0, 0, 1, 1, Qt.AlignHCenter)
unk_layout.setColumnStretch(0, 1)
unk_layout.setContentsMargins(0, 0, 0, 0)
self.tree.setItemWidget(item, self.STATUS_COL,
unk_widget)
else:
item.setText(self.STATUS_COL, "running")
kill_widget = QWidget()
kill_layout = QGridLayout(kill_widget)
kill = QPushButton()
kill.setIcon(
QIcon(kill_widget.style().standardIcon(
QStyle.SP_DialogCancelButton)))
kill.setFlat(True)
kill.clicked.connect(lambda *args, job=job: job.kill())
kill.clicked.connect(
lambda *args, session=self.session: session.
seqcrow_job_manager.triggers.activate_trigger(
JOB_QUEUED, "resume"))
kill_layout.addWidget(kill, 0, 0, 1, 1, Qt.AlignLeft)
kill_layout.setColumnStretch(0, 0)
kill_layout.setContentsMargins(0, 0, 0, 0)
self.tree.setItemWidget(item, self.KILL_COL,
kill_widget)
elif job.isFinished():
if not job.error:
item.setText(self.STATUS_COL, "finished")
else:
error_widget = QWidget()
error_layout = QGridLayout(error_widget)
error = QPushButton()
error.setIcon(
QIcon(error_widget.style().standardIcon(
QStyle.SP_MessageBoxWarning)))
error.setFlat(True)
error.setToolTip(
"job did not finish without errors or output file cannot be found"
)
error_layout.addWidget(error, 0, 0, 1, 1,
Qt.AlignHCenter)
error_layout.setColumnStretch(0, 1)
error_layout.setContentsMargins(0, 0, 0, 0)
self.tree.setItemWidget(item, self.STATUS_COL,
error_widget)
del_job_widget = QWidget()
del_job_layout = QGridLayout(del_job_widget)
del_job = QPushButton()
del_job.clicked.connect(
lambda *args, job=job: self.remove_job(job))
del_job.setIcon(
QIcon(del_job_widget.style().standardIcon(
QStyle.SP_DialogDiscardButton)))
del_job.setFlat(True)
del_job_layout.addWidget(del_job, 0, 0, 1, 1,
Qt.AlignHCenter)
del_job_layout.setColumnStretch(0, 1)
del_job_layout.setContentsMargins(0, 0, 0, 0)
self.tree.setItemWidget(item, self.DEL_COL, del_job_widget)
else:
item.setText(self.STATUS_COL, "queued")
priority_widget = QWidget()
priority_layout = QGridLayout(priority_widget)
inc_priority = QPushButton()
inc_priority.setIcon(
QIcon(priority_widget.style().standardIcon(
QStyle.SP_ArrowUp)))
inc_priority.setFlat(True)
inc_priority.clicked.connect(
lambda *args, job=job: self.session.seqcrow_job_manager
.increase_priotity(job))
priority_layout.addWidget(inc_priority, 0, 0, 1, 1,
Qt.AlignRight)
dec_priority = QPushButton()
dec_priority.setIcon(
QIcon(priority_widget.style().standardIcon(
QStyle.SP_ArrowDown)))
dec_priority.setFlat(True)
dec_priority.clicked.connect(
lambda *args, job=job: self.session.seqcrow_job_manager
.decrease_priotity(job))
priority_layout.addWidget(dec_priority, 0, 1, 1, 1,
Qt.AlignLeft)
priority_layout.setColumnStretch(0, 1)
priority_layout.setColumnStretch(1, 1)
priority_layout.setContentsMargins(0, 0, 0, 0)
self.tree.setItemWidget(item, self.CHANGE_PRIORITY,
priority_widget)
kill_widget = QWidget()
kill_layout = QGridLayout(kill_widget)
kill = QPushButton()
kill.setIcon(
QIcon(kill_widget.style().standardIcon(
QStyle.SP_DialogCancelButton)))
kill.setFlat(True)
kill.clicked.connect(lambda *args, job=job: job.kill())
kill.clicked.connect(
lambda *args, session=self.session: session.
seqcrow_job_manager.triggers.activate_trigger(
JOB_QUEUED, "resume"))
kill_layout.addWidget(kill, 0, 0, 1, 1, Qt.AlignLeft)
kill_layout.setColumnStretch(0, 0)
kill_layout.setContentsMargins(0, 0, 0, 0)
self.tree.setItemWidget(item, self.KILL_COL, kill_widget)
item.setText(self.SERVER_COL, "local")
if job.scratch_dir and os.path.exists(job.scratch_dir):
browse_widget = QWidget()
browse_layout = QGridLayout(browse_widget)
browse = QPushButton()
browse.clicked.connect(
lambda *args, job=job: self.browse_local(job))
browse.setIcon(
QIcon(browse_widget.style().standardIcon(
QStyle.SP_DirOpenIcon)))
browse.setFlat(True)
browse_layout.addWidget(browse, 0, 0, 1, 1, Qt.AlignLeft)
browse_layout.setColumnStretch(0, 1)
browse_layout.setContentsMargins(0, 0, 0, 0)
self.tree.setItemWidget(item, self.BROWSE_COL,
browse_widget)
self.tree.expandItem(item)
self.tree.resizeColumnToContents(self.STATUS_COL)
self.tree.resizeColumnToContents(self.SERVER_COL)
self.tree.resizeColumnToContents(self.CHANGE_PRIORITY)
self.tree.resizeColumnToContents(self.KILL_COL)
self.tree.resizeColumnToContents(self.DEL_COL)
self.tree.resizeColumnToContents(self.BROWSE_COL)
def __init__(self, *args, initial_elements=[], select_multiple=True, **kwargs):
super().__init__(*args, **kwargs)
layout = QGridLayout(self)
layout.setContentsMargins(0, 0, 0, 0)
self._elements = {ele: ElementButton(ele) for ele in ELEMENTS if not any(ele == x for x in ['Bq', 'X'])}
for ele in self._elements.keys():
self._elements[ele].setTristate(False)
if select_multiple:
self._elements[ele].stateChanged.connect(lambda state, ele=ele: self.elementSelectionChanged.emit())
else:
self._elements[ele].stateChanged.connect(lambda state, ele=ele: self._single_ele_clicked(state, ele))
elements_widget = QWidget()
elements_layout = QGridLayout(elements_widget)
elements_layout.setContentsMargins(0, 0, 0, 0)
elements_layout.addWidget(self._elements['H'], 0, 0, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['He'], 0, 17, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Li'], 1, 0, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Be'], 1, 1, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['B'], 1, 12, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['C'], 1, 13, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['N'], 1, 14, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['O'], 1, 15, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['F'], 1, 16, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ne'], 1, 17, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Na'], 2, 0, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Mg'], 2, 1, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Al'], 2, 12, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Si'], 2, 13, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['P'], 2, 14, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['S'], 2, 15, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Cl'], 2, 16, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ar'], 2, 17, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['K'], 3, 0, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ca'], 3, 1, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Sc'], 3, 2, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ti'], 3, 3, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['V'], 3, 4, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Cr'], 3, 5, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Mn'], 3, 6, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Fe'], 3, 7, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Co'], 3, 8, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ni'], 3, 9, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Cu'], 3, 10, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Zn'], 3, 11, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ga'], 3, 12, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ge'], 3, 13, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['As'], 3, 14, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Se'], 3, 15, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Br'], 3, 16, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Kr'], 3, 17, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Rb'], 4, 0, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Sr'], 4, 1, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Y'], 4, 2, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Zr'], 4, 3, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Nb'], 4, 4, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Mo'], 4, 5, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Tc'], 4, 6, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ru'], 4, 7, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Rh'], 4, 8, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Pd'], 4, 9, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ag'], 4, 10, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Cd'], 4, 11, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['In'], 4, 12, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Sn'], 4, 13, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Sb'], 4, 14, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Te'], 4, 15, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['I'], 4, 16, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Xe'], 4, 17, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Cs'], 5, 0, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ba'], 5, 1, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Hf'], 5, 3, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ta'], 5, 4, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['W'], 5, 5, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Re'], 5, 6, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Os'], 5, 7, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ir'], 5, 8, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Pt'], 5, 9, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Au'], 5, 10, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Hg'], 5, 11, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Tl'], 5, 12, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Pb'], 5, 13, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Bi'], 5, 14, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Po'], 5, 15, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['At'], 5, 16, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Rn'], 5, 17, Qt.AlignLeft | Qt.AlignTop)
if 'Fr' in ELEMENTS:
elements_layout.addWidget(self._elements['Fr'], 6, 0, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ra'], 6, 1, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Rf'], 6, 3, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Db'], 6, 4, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Sg'], 6, 5, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Bh'], 6, 6, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Hs'], 6, 7, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Mt'], 6, 8, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ds'], 6, 9, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Rg'], 6, 10, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Cn'], 6, 11, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Nh'], 6, 12, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Fl'], 6, 13, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Mc'], 6, 14, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Lv'], 6, 15, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ts'], 6, 16, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Og'], 6, 17, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['La'], 7, 2, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ce'], 7, 3, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Pr'], 7, 4, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Nd'], 7, 5, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Pm'], 7, 6, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Sm'], 7, 7, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Eu'], 7, 8, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Gd'], 7, 9, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Tb'], 7, 10, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Dy'], 7, 11, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Ho'], 7, 12, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Er'], 7, 13, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Tm'], 7, 14, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Yb'], 7, 15, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Lu'], 7, 16, Qt.AlignLeft | Qt.AlignTop)
if 'Ac' in ELEMENTS:
elements_layout.addWidget(self._elements['Ac'], 8, 2, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Th'], 8, 3, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Pa'], 8, 4, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['U'], 8, 5, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Np'], 8, 6, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Pu'], 8, 7, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Am'], 8, 8, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Cm'], 8, 9, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Bk'], 8, 10, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Cf'], 8, 11, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Es'], 8, 12, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Fm'], 8, 13, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Md'], 8, 14, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['No'], 8, 15, Qt.AlignLeft | Qt.AlignTop)
elements_layout.addWidget(self._elements['Lr'], 8, 16, Qt.AlignLeft | Qt.AlignTop)
if select_multiple:
organic_button = QPushButton("organic chemists'")
organic_button.setCheckable(True)
organic_button.clicked.connect(self._select_ochem)
#layout.addWidget(organic_button, 9, col, Qt.AlignTop)
z_lt_37_button = QPushButton("H-Kr")
z_lt_37_button.setCheckable(True)
z_lt_37_button.clicked.connect(self._select_z_lt_37)
layout.addWidget(z_lt_37_button, 9, 0, Qt.AlignTop)
z_ge_37_button = QPushButton("row 5+")
z_ge_37_button.setCheckable(True)
z_ge_37_button.clicked.connect(self._select_z_ge_37)
layout.addWidget(z_ge_37_button, 9, 1, Qt.AlignTop)
z_le_86_button = QPushButton("H-Rn")
z_le_86_button.setCheckable(True)
z_le_86_button.clicked.connect(self._select_z_le_86)
layout.addWidget(z_le_86_button, 9, 2, Qt.AlignTop)
tm_button = QPushButton("transition metals")
tm_button.setCheckable(True)
tm_button.clicked.connect(self._select_tm)
layout.addWidget(tm_button, 9, 3, Qt.AlignTop)
all_button = QPushButton("all")
all_button.clicked.connect(self._select_all)
all_button.clicked.connect(lambda *args: organic_button.setChecked(False))
all_button.clicked.connect(lambda *args: tm_button.setChecked(False))
all_button.clicked.connect(lambda *args: organic_button.setChecked(False))
all_button.clicked.connect(lambda *args: z_lt_37_button.setChecked(False))
all_button.clicked.connect(lambda *args: z_ge_37_button.setChecked(False))
all_button.clicked.connect(lambda *args: z_le_86_button.setChecked(False))
layout.addWidget(all_button, 10, 0, Qt.AlignTop)
invert = QPushButton("invert")
invert.clicked.connect(self._invert)
invert.clicked.connect(lambda *args: organic_button.setChecked(False))
invert.clicked.connect(lambda *args: tm_button.setChecked(False))
invert.clicked.connect(lambda *args: organic_button.setChecked(False))
invert.clicked.connect(lambda *args: z_lt_37_button.setChecked(False))
invert.clicked.connect(lambda *args: z_ge_37_button.setChecked(False))
invert.clicked.connect(lambda *args: z_le_86_button.setChecked(False))
layout.addWidget(invert, 10, 2, Qt.AlignTop)
clear = QPushButton("clear")
clear.clicked.connect(self._clear)
clear.clicked.connect(lambda *args: organic_button.setChecked(False))
clear.clicked.connect(lambda *args: tm_button.setChecked(False))
clear.clicked.connect(lambda *args: organic_button.setChecked(False))
clear.clicked.connect(lambda *args: z_lt_37_button.setChecked(False))
clear.clicked.connect(lambda *args: z_ge_37_button.setChecked(False))
clear.clicked.connect(lambda *args: z_le_86_button.setChecked(False))
layout.addWidget(clear, 10, 1, Qt.AlignTop)
reset = QPushButton("reset")
reset.clicked.connect(self._reset)
reset.clicked.connect(lambda *args: organic_button.setChecked(False))
reset.clicked.connect(lambda *args: tm_button.setChecked(False))
reset.clicked.connect(lambda *args: organic_button.setChecked(False))
reset.clicked.connect(lambda *args: z_lt_37_button.setChecked(False))
reset.clicked.connect(lambda *args: z_ge_37_button.setChecked(False))
reset.clicked.connect(lambda *args: z_le_86_button.setChecked(False))
layout.addWidget(reset, 10, 3, Qt.AlignTop)
layout.addWidget(elements_widget, 0, 0, 7, 4, Qt.AlignLeft | Qt.AlignTop)
self.setSelectedElements(initial_elements)
self._initial_elements = initial_elements
layout.setRowStretch(0, 0)
layout.setRowStretch(1, 0)
layout.setRowStretch(2, 0)
layout.setRowStretch(3, 0)
layout.setRowStretch(4, 0)
layout.setRowStretch(5, 0)
layout.setRowStretch(6, 0)
layout.setRowStretch(7, 0)
layout.setRowStretch(8, 0)
layout.setRowStretch(9, 0)
layout.setRowStretch(10, 1)
layout.setColumnStretch(0, 0)
layout.setColumnStretch(1, 1)
layout.setColumnStretch(2, 1)
layout.setColumnStretch(3, 1)
else:
layout.addWidget(elements_widget)
if len(initial_elements) > 0:
self.setSelectedElements([initial_elements[0]])
self._initial_elements = [initial_elements[0]]
