def add_conf_group(self, conf_group_widget):
row = conf_group_widget.childCount()
conformer_item = QTreeWidgetItem(conf_group_widget)
conf_group_widget.insertChild(row, conformer_item)
nrg_combobox = FilereaderComboBox(self.session, otherItems=['energy'])
nrg_combobox.currentIndexChanged.connect(
lambda *args: self.changes.emit())
freq_combobox = FilereaderComboBox(self.session,
otherItems=['frequency'])
freq_combobox.currentIndexChanged.connect(
lambda *args: self.changes.emit())
trash_button = QPushButton()
trash_button.setFlat(True)
trash_button.clicked.connect(
lambda *args, combobox=nrg_combobox: combobox.deleteLater())
trash_button.clicked.connect(
lambda *args, combobox=freq_combobox: combobox.deleteLater())
trash_button.clicked.connect(lambda *args, child=conformer_item:
conf_group_widget.removeChild(child))
trash_button.clicked.connect(lambda *args: self.changes.emit())
trash_button.setIcon(
QIcon(self.style().standardIcon(QStyle.SP_DialogCancelButton)))
self.tree.setItemWidget(conformer_item, 0, nrg_combobox)
self.tree.setItemWidget(conformer_item, 1, freq_combobox)
self.tree.setItemWidget(conformer_item, 2, trash_button)
self.changes.emit()
def __init__(self, name, session, nrg_fr, thermo_co, size, *args,
**kwargs):
super().__init__(*args, **kwargs)
self.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
self.session = session
self.nrg_fr = nrg_fr
self.thermo_co = thermo_co
layout = QGridLayout(self)
layout.setContentsMargins(0, 0, 0, 0)
layout.setRowStretch(0, 1)
frame = QGroupBox(name)
frame.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
frame_layout = QGridLayout(frame)
frame_layout.setContentsMargins(0, 0, 0, 0)
frame_layout.setRowStretch(0, 1)
self.tree = QTreeWidget()
self.tree.setColumnCount(3)
self.tree.setHeaderLabels(["energy", "frequencies", "remove"])
self.tree.setSizePolicy(QSizePolicy.Expanding, QSizePolicy.Expanding)
self.tree.setColumnWidth(0, size[0])
self.tree.setColumnWidth(1, size[1])
self.tree.resizeColumnToContents(2)
root_item = self.tree.invisibleRootItem()
plus = QTreeWidgetItem(root_item)
plus_button = QPushButton("add molecule")
plus_button.setFlat(True)
plus_button.clicked.connect(self.add_mol_group)
plus_button2 = QPushButton("")
plus_button2.setFlat(True)
plus_button2.clicked.connect(self.add_mol_group)
self.tree.setItemWidget(plus, 0, plus_button)
self.tree.setItemWidget(plus, 1, plus_button2)
self.tree.insertTopLevelItem(1, plus)
self.add_mol_group()
frame_layout.addWidget(self.tree)
layout.addWidget(frame)
def __init__(self, scene, name, parent=None):
super(UIPinGroup, self).__init__(parent)
self.setAcceptHoverEvents(True)
self.borderPen = QtGui.QPen(Colors.DarkGray, 0.5, QtCore.Qt.SolidLine)
self._scene = scene
self.layout = QGraphicsLinearLayout(QtCore.Qt.Vertical)
self.layout.setContentsMargins(0, 0, 0, 0)
self.layout.setSpacing(NodeDefaults().LAYOUTS_SPACING)
self.setLayout(self.layout)
headerBtn = QPushButton(name)
headerBtn.setStyleSheet(headerBtnStyle)
headerBtn.setFlat(True)
headerBtn.setContentsMargins(0, 0, 0, 0)
headerBtn.setMaximumHeight(10)
headerBtn.clicked.connect(self.toggleCollapsed)
self.headerWidget = self._scene.addWidget(headerBtn)
self.layout.addItem(self.headerWidget)
self._pins = set()
self.bCollapsed = False
def get_button(button_type):
button = QPushButton()
button.setFlat(True)
if button_type == "success":
button.setIcon(button.style().standardIcon(
QStyle.SP_DialogApplyButton))
elif button_type == "fail":
button.setIcon(button.style().standardIcon(
QStyle.SP_MessageBoxCritical))
elif button_type == "error":
button.setIcon(button.style().standardIcon(
QStyle.SP_MessageBoxWarning))
elif button_type == "skip" or button_type == "expected fail":
button.setIcon(button.style().standardIcon(
QStyle.SP_MessageBoxInformation))
elif button_type == "unexpected success":
button.setIcon(button.style().standardIcon(
QStyle.SP_MessageBoxQuestion))
return button
def add_mol_group(self, *args):
row = self.tree.topLevelItemCount()
root_item = self.tree.invisibleRootItem()
mol_group = QTreeWidgetItem(root_item)
self.tree.insertTopLevelItem(row, mol_group)
trash_button = QPushButton()
trash_button.setFlat(True)
trash_button.clicked.connect(
lambda *args, parent=mol_group: self.remove_mol_group(parent))
trash_button.setIcon(
QIcon(self.style().standardIcon(QStyle.SP_DialogDiscardButton)))
add_conf_button = QPushButton("add conformer")
add_conf_button.setFlat(True)
add_conf_button.clicked.connect(
lambda *args, conf_group_widget=mol_group: self.add_conf_group(
conf_group_widget))
add_conf_button2 = QPushButton("")
add_conf_button2.setFlat(True)
add_conf_button2.clicked.connect(
lambda *args, conf_group_widget=mol_group: self.add_conf_group(
conf_group_widget))
add_conf_child = QTreeWidgetItem(mol_group)
self.tree.setItemWidget(add_conf_child, 0, add_conf_button)
self.tree.setItemWidget(add_conf_child, 1, add_conf_button2)
self.tree.setItemWidget(mol_group, 2, trash_button)
mol_group.setText(0, "group %i" % row)
mol_group.addChild(add_conf_child)
self.add_conf_group(mol_group)
self.tree.expandItem(mol_group)
self.changes.emit()
def __init__(self, parent=None):
QMainWindow.__init__(self, parent)
self.data = ParticleData()
toolbar = self.addToolBar("Test")
openButton = QPushButton("")
openButton.setFlat(True)
openButton.setIconSize(QSize(32, 32))
openButton.setIcon(QIcon("/jobs2/soft/icons/dlight/open.png"))
openButton.setToolTip("Open File")
toolbar.addWidget(openButton)
openButton.clicked.connect(self.openSlot)
QShortcut(QKeySequence(Qt.CTRL + Qt.Key_O), self, self.openSlot)
saveButton = QPushButton("")
saveButton.setFlat(True)
saveButton.setIconSize(QSize(32, 32))
saveButton.setIcon(QIcon("/jobs2/soft/icons/dlight/file_save.png"))
saveButton.setToolTip("Save File")
toolbar.addWidget(saveButton)
saveButton.clicked.connect(self.saveSlot)
QShortcut(QKeySequence(Qt.CTRL + Qt.Key_S), self, self.saveSlot)
saveDeltaButton = QPushButton("")
saveDeltaButton.setFlat(True)
saveDeltaButton.setIconSize(QSize(32, 32))
saveDeltaButton.setIcon(
QIcon("/jobs2/soft/icons/dlight/file_save_as.png"))
saveDeltaButton.setToolTip("Save File As Delta")
toolbar.addWidget(saveDeltaButton)
saveDeltaButton.clicked.connect(self.saveDeltaSlot)
QShortcut(QKeySequence(Qt.CTRL + Qt.SHIFT + Qt.Key_S), self,
self.saveDeltaSlot)
addParticleButton = QPushButton("Particle")
addParticleButton.setFlat(True)
addParticleButton.setIconSize(QSize(32, 32))
addParticleButton.setIcon(QIcon("/jobs2/soft/icons/shared/plus.png"))
addParticleButton.setToolTip("Add Particle")
toolbar.addWidget(addParticleButton)
addParticleButton.clicked.connect(self.addParticleSlot)
addAttributeButton = QPushButton("Attribute")
addAttributeButton.setFlat(True)
addAttributeButton.setIconSize(QSize(32, 32))
addAttributeButton.setIcon(QIcon("/jobs2/soft/icons/shared/plus.png"))
addAttributeButton.setToolTip("Add Attribute")
toolbar.addWidget(addAttributeButton)
addAttributeButton.clicked.connect(self.addAttributeSlot)
splitter = QSplitter(self)
self.setCentralWidget(splitter)
particleTable = ParticleTableWidget(self.data, self)
splitter.addWidget(particleTable)
right = QWidget(self)
splitter.addWidget(right)
vbox = QVBoxLayout(right)
right.setLayout(vbox)
fixedAttrWidget = FixedAttributesWidget(self.data, self)
vbox.addWidget(fixedAttrWidget)
indexedStrings = IndexedStringsWidget(self.data, self)
vbox.addWidget(indexedStrings)
vbox.addStretch()
# TODD: SCROLLABLE AREAS FOR EVERYTHING
self.data.dirtied.connect(self.dataDirtiedSlot)
# Configure ctrl-w to close the window
QShortcut(QKeySequence(Qt.CTRL + Qt.Key_W), self, self.close)
def create_flat_button(
icon=None,
icon_size=None,
name='',
text=200,
background_color=[54, 51, 51],
ui_color=68,
border_color=180,
push_col=120,
checkable=True,
w_max=None,
w_min=None,
h_max=None,
h_min=None,
policy=None,
tip=None,
flat=True,
hover=True,
destroy_flag=False,
context=None,
):
btn = QPushButton()
btn.setText(name)
btn.setCheckable(checkable)
if icon:
if isinstance(icon, QIcon):
btn.setIcon(icon)
else:
btn.setIcon(QIcon(icon))
btn.setFlat(flat)
if flat:
change_button_color(button=btn,
text_color=text,
bg_color=ui_color,
hi_color=background_color,
mode='button',
hover=hover,
destroy=destroy_flag,
ds_color=border_color)
btn.toggled.connect(
lambda: change_button_color(button=btn,
text_color=text,
bg_color=ui_color,
hi_color=background_color,
mode='button',
toggle=True,
hover=hover,
destroy=destroy_flag,
ds_color=border_color))
else:
change_button_color(button=btn,
text_color=text,
bg_color=background_color,
hi_color=push_col,
mode='button',
hover=hover,
destroy=destroy_flag,
ds_color=border_color)
if w_max:
btn.setMaximumWidth(w_max)
if w_min:
btn.setMinimumWidth(w_min)
if h_max:
btn.setMaximumHeight(h_max)
if h_min:
btn.setMinimumHeight(h_min)
if icon_size:
btn.setIconSize(QSize(*icon_size))
if policy:
btn.setSizePolicy(QSizePolicy.Minimum, QSizePolicy.Expanding)
if tip:
btn.setToolTip(tip)
if context:
btn.setContextMenuPolicy(Qt.CustomContextMenu)
btn.customContextMenuRequested.connect(context)
return btn
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, parent=None):
QMainWindow.__init__(self, parent)
self.data = ParticleData()
toolbar = self.addToolBar("Test")
openButton = QPushButton("")
openButton.setFlat(True)
openButton.setIconSize( QSize(32, 32) )
openButton.setIcon(QIcon("/jobs2/soft/icons/dlight/open.png"))
openButton.setToolTip( "Open File" )
toolbar.addWidget(openButton)
openButton.clicked.connect(self.openSlot)
QShortcut( QKeySequence(Qt.CTRL + Qt.Key_O), self, self.openSlot )
saveButton = QPushButton("")
saveButton.setFlat(True)
saveButton.setIconSize( QSize(32, 32) )
saveButton.setIcon(QIcon("/jobs2/soft/icons/dlight/file_save.png"))
saveButton.setToolTip( "Save File" )
toolbar.addWidget(saveButton)
saveButton.clicked.connect(self.saveSlot)
QShortcut( QKeySequence(Qt.CTRL + Qt.Key_S), self, self.saveSlot )
saveDeltaButton = QPushButton("")
saveDeltaButton.setFlat(True)
saveDeltaButton.setIconSize( QSize(32, 32) )
saveDeltaButton.setIcon(QIcon("/jobs2/soft/icons/dlight/file_save_as.png"))
saveDeltaButton.setToolTip( "Save File As Delta" )
toolbar.addWidget(saveDeltaButton)
saveDeltaButton.clicked.connect(self.saveDeltaSlot)
QShortcut( QKeySequence(Qt.CTRL + Qt.SHIFT + Qt.Key_S), self, self.saveDeltaSlot )
addParticleButton = QPushButton("Particle")
addParticleButton.setFlat(True)
addParticleButton.setIconSize( QSize(32, 32) )
addParticleButton.setIcon(QIcon("/jobs2/soft/icons/shared/plus.png"))
addParticleButton.setToolTip( "Add Particle" )
toolbar.addWidget(addParticleButton)
addParticleButton.clicked.connect(self.addParticleSlot)
addAttributeButton = QPushButton("Attribute")
addAttributeButton.setFlat(True)
addAttributeButton.setIconSize( QSize(32, 32) )
addAttributeButton.setIcon(QIcon("/jobs2/soft/icons/shared/plus.png"))
addAttributeButton.setToolTip( "Add Attribute" )
toolbar.addWidget(addAttributeButton)
addAttributeButton.clicked.connect(self.addAttributeSlot)
splitter = QSplitter(self)
self.setCentralWidget(splitter)
particleTable = ParticleTableWidget(self.data, self)
splitter.addWidget(particleTable)
right = QWidget(self)
splitter.addWidget(right)
vbox = QVBoxLayout(right)
right.setLayout(vbox)
fixedAttrWidget = FixedAttributesWidget(self.data, self)
vbox.addWidget(fixedAttrWidget)
indexedStrings = IndexedStringsWidget(self.data, self)
vbox.addWidget(indexedStrings)
vbox.addStretch()
# TODD: SCROLLABLE AREAS FOR EVERYTHING
self.data.dirtied.connect(self.dataDirtiedSlot)
# Configure ctrl-w to close the window
QShortcut( QKeySequence(Qt.CTRL + Qt.Key_W), self, self.close )
