def _build_ui(self):
layout = QGridLayout()
layout.setContentsMargins(0,0,0,0)
layout.setSpacing(0)
#TODO: make buttons disabled/enabled if items are selected that don't have the info
self.tree = QTreeWidget()
self.tree.setSelectionMode(QTreeWidget.ExtendedSelection)
self.tree.setHeaderLabels(["Name", "ID", "movie", "energy", "frequencies"])
self.tree.setUniformRowHeights(True)
self.tree.setColumnWidth(self.NAME_COL, 200)
layout.addWidget(self.tree, 0, 0, 3, 1)
restore_button = QPushButton("restore")
restore_button.clicked.connect(self.restore_selected)
layout.addWidget(restore_button, 0, 1)
nrg_plot_button = QPushButton("energy plot")
nrg_plot_button.clicked.connect(self.open_nrg_plot)
layout.addWidget(nrg_plot_button, 1, 1)
coordset_slider_button = QPushButton("movie slider")
coordset_slider_button.clicked.connect(self.open_movie_slider)
layout.addWidget(coordset_slider_button, 2, 1)
self.tool_window.ui_area.setLayout(layout)
self.tool_window.manage(placement="side")
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)
class InputWidgetSingle(InputWidgetRaw):
"""
This type of widget is used for a simple widgets like buttons, checkboxes etc.
It consists of horizontal layout widget itself and reset button.
"""
def __init__(self,
parent=None,
dataSetCallback=None,
defaultValue=None,
userStructClass=None,
**kwds):
super(InputWidgetSingle,
self).__init__(parent=parent,
dataSetCallback=dataSetCallback,
defaultValue=defaultValue,
userStructClass=userStructClass,
**kwds)
# from widget
self.bWidgetSet = False
self.gridLayout = QGridLayout(self)
self.gridLayout.setSpacing(1)
self.gridLayout.setContentsMargins(0, 0, 0, 0)
self.gridLayout.setObjectName("gridLayout")
self.horizontalLayout = QHBoxLayout()
self.horizontalLayout.setObjectName("horizontalLayout")
spacerItem = QSpacerItem(40, 20, QSizePolicy.Expanding,
QSizePolicy.Minimum)
self.horizontalLayout.addItem(spacerItem)
self.pbReset = QPushButton(self)
self.pbReset.setMaximumSize(QtCore.QSize(25, 25))
self.pbReset.setText("")
self.pbReset.setObjectName("pbReset")
self.pbReset.setIcon(QtGui.QIcon(":/icons/resources/reset.png"))
self.horizontalLayout.addWidget(self.pbReset)
self.pbReset.clicked.connect(self.onResetValue)
self.gridLayout.addLayout(self.horizontalLayout, 0, 0, 1, 1)
self._index = 0
def setWidget(self, widget):
self.horizontalLayout.insertWidget(self._index, widget)
class FileManagerViewer(QWidget):
def __init__(self, *args, **kwargs):
super(FileManagerViewer, self).__init__(*args, **kwargs)
self._lyt_grid = QGridLayout()
self._toolbar = ViewerToolbar()
self._build_ui()
self._build_connections()
self._setup_ui()
def view_assets(self, asset_records):
self._clear_grid()
if not asset_records:
return
asset_records.sort(key=attrgetter('name'))
engine = get_engine()
# Find tags
_links = engine.select(
Query('tag_to_asset', asset_id=[_.id for _ in asset_records]))
links_by_asset = dict(fm_groupby(_links, attrgetter('asset_id')))
_tags = engine.select(Query('tag', id=[_.tag_id for _ in _links
])) if _links else list()
tags_by_id = {_.id: _ for _ in _tags}
# Find paths
_paths = engine.select(
Query('path', asset_id=[_.id for _ in asset_records]))
paths_by_asset = dict(fm_groupby(_paths, attrgetter('asset_id')))
FileManagerThumbnail.cache_app_icons()
widgets = list()
for asset_record in asset_records:
_links = links_by_asset.get(asset_record.id, list())
tags = [tags_by_id.get(link.tag_id) for link in _links]
paths = paths_by_asset.get(asset_record.id, list())
thumb = FileManagerThumbnail(asset_record, tags, paths)
thumb.deleted.connect(self._remove_thumb)
widgets.append(thumb)
self._layout_widgets(widgets)
def _build_ui(self):
self._lyt_grid.setContentsMargins(0, 0, 0, 0)
self._lyt_grid.setSpacing(10)
self._lyt_grid.setAlignment(Qt.AlignTop | Qt.AlignLeft)
scroll_area = QScrollArea()
scroll_area.setFrameStyle(0)
scroll_area.setWidget(QWidget())
scroll_area.widget().setLayout(self._lyt_grid)
scroll_area.setWidgetResizable(True)
lyt_main = QVBoxLayout()
lyt_main.setContentsMargins(0, 0, 0, 0)
lyt_main.setSpacing(0)
lyt_main.addWidget(scroll_area)
lyt_main.addWidget(self._toolbar)
self.setLayout(lyt_main)
def _build_connections(self):
self._toolbar.thumb_size_changed.connect(self.update_layout)
def _setup_ui(self):
pass
def _remove_thumb(self):
thumb = self.sender()
self._lyt_grid.removeWidget(thumb)
thumb.deleteLater()
self.update_layout()
def update_layout(self):
widgets = list()
while self._lyt_grid.count():
wdg = self._lyt_grid.itemAt(0).widget()
widgets.append(wdg)
self._lyt_grid.removeWidget(wdg)
self._layout_widgets(widgets)
def _layout_widgets(self, widgets):
for wdg in widgets:
wdg.update_thumb_size()
w = self.width()
items_per_row = int(w / ((settings.thumb_size + 16) *
FileManagerThumbnail.REF_WIDTH / 100.0))
r, c = 0, 0
while widgets:
n = widgets.pop(0)
self._lyt_grid.addWidget(n, r, c)
c += 1
if c >= items_per_row:
r += 1
c = 0
def _clear_grid(self):
while self._lyt_grid.count():
item = self._lyt_grid.itemAt(0)
wdg = item.widget()
self._lyt_grid.removeWidget(wdg)
wdg.close()
wdg.deleteLater()
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.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)
class PenSetWidget(QWidget):
penSizeTrigger = Signal(int)
penColorTrigger = Signal(str)
fontChangeTrigger = Signal(QFont)
def __init__(self, parent=None):
super(PenSetWidget, self).__init__(parent)
self.paddingX = 5
self.paddingY = 2
self.iconWidth = self.iconHeight = 24
self.setSizePolicy(QSizePolicy.Preferred, QSizePolicy.Fixed)
self.setWindowFlags(Qt.ToolTip)
self.initWindows()
self.prevSizeButton = self.penSize1
self.penSize1.setChecked(True)
self.presentColor.setStyleSheet(
'QPushButton { background-color: %s; }' % PENCOLOR)
def generateButtons(self, parent=None):
""" Generate buttons due to colorDic """
self.colorButtons = []
for color in self.colorList:
button = QPushButton(parent)
button.setObjectName(color[0])
button.setStyleSheet('QPushButton { background-color: %s; }' %
color[1])
button.setFixedSize(self.iconWidth / 2, self.iconHeight / 2)
button.setCheckable(True)
self.colorButtons.append(button)
def initWindows(self):
self.mainLayout = QHBoxLayout()
self.setLayout(self.mainLayout)
self.mainLayout.setSpacing(0)
self.mainLayout.setContentsMargins(5, 2, 5, 2)
self.initPenSizeButtons()
self.initFontWidget()
self.initPenColorButtons()
self.separator = QFrame(self)
self.separator.setFrameShape(QFrame.VLine)
self.separator.setFrameShadow(QFrame.Sunken)
self.mainLayout.addWidget(self.penSize)
self.mainLayout.addWidget(self.changeFontButton)
self.mainLayout.addWidget(self.separator)
self.mainLayout.addWidget(self.colorSet)
def initPenSizeButtons(self):
self.penSize = QWidget(self)
self.penSizeLayout = QHBoxLayout()
self.penSize.setLayout(self.penSizeLayout)
# adjust pen size
self.penSize1 = QPushButton(self.penSize)
self.penSize1.setIcon(QIcon(":/resource/icon/pensize1.png"))
self.penSize1.setObjectName('1')
self.penSize1.setFixedSize(self.iconWidth, self.iconHeight)
self.penSize1.setCheckable(True)
self.penSize2 = QPushButton(self.penSize)
self.penSize2.setIcon(QIcon(":/resource/icon/pensize2.png"))
self.penSize2.setObjectName('2')
self.penSize2.setFixedSize(self.iconWidth, self.iconHeight)
self.penSize2.setCheckable(True)
self.penSize3 = QPushButton(self.penSize)
self.penSize3.setIcon(QIcon(":/resource/icon/pensize3.png"))
self.penSize3.setObjectName('3')
self.penSize3.setFixedSize(self.iconWidth, self.iconHeight)
self.penSize3.setCheckable(True)
self.sizeButtonGroup = QButtonGroup(self.penSize)
self.sizeButtonGroup.addButton(self.penSize1)
self.sizeButtonGroup.addButton(self.penSize2)
self.sizeButtonGroup.addButton(self.penSize3)
self.sizeButtonGroup.buttonClicked.connect(self.sizeButtonToggled)
self.penSizeLayout.addWidget(self.penSize1)
self.penSizeLayout.addWidget(self.penSize2)
self.penSizeLayout.addWidget(self.penSize3)
self.penSizeLayout.setSpacing(5)
self.penSizeLayout.setContentsMargins(0, 0, 0, 0)
def initPenColorButtons(self):
self.colorSet = QWidget(self)
self.colorLayout = QHBoxLayout()
self.colorLayout.setSpacing(5)
self.colorLayout.setContentsMargins(5, 0, 5, 0)
self.colorSet.setLayout(self.colorLayout)
self.presentColor = QPushButton(self.colorSet)
self.presentColor.setFixedSize(self.iconWidth, self.iconHeight)
self.presentColor.setEnabled(False)
# adjust pen color
self.colorPick = QWidget(self.colorSet)
self.colorGrid = QGridLayout()
self.colorGrid.setSpacing(0)
self.colorGrid.setContentsMargins(5, 0, 5, 0)
self.colorPick.setLayout(self.colorGrid)
self.colorList = [('white', '#ffffff'), ('red', '#ff0000'),
('green', '#00ff00'), ('blue', '#0000ff'),
('cyan', '#00ffff'), ('magenta', '#ff00ff'),
('yellow', '#ffff00'), ('gray', '#a0a0a4'),
('black', '#000000'), ('darkRed', '#800000'),
('darkGreen', '#008000'), ('darkBlue', '#000080'),
('darkCyan', '#008080'), ('darkMagenta', '#800080'),
('darkYellow', '#808000'), ('darkGray', '#808080')]
self.generateButtons()
self.colorButtonGroup = QButtonGroup(self)
for button in self.colorButtons:
self.colorButtonGroup.addButton(button)
self.colorButtonGroup.buttonClicked.connect(self.colorButtonToggled)
# set the layout
tmp = 0
for x in range(0, 2):
for y in range(0, int(len(self.colorList) / 2)):
self.colorGrid.addWidget(self.colorButtons[tmp], x, y)
tmp += 1
self.colorGrid.setSpacing(0)
self.colorGrid.setContentsMargins(0, 0, 0, 0)
self.colorLayout.addWidget(self.presentColor)
self.colorLayout.addWidget(self.colorPick)
def initFontWidget(self):
self.fontDialog = QFontDialog()
self.changeFontButton = QPushButton(self)
self.fontDialog.setCurrentFont(QFont('Sans serif'))
self.changeFontButton.setText('{0} {1}'.format(
self.fontDialog.currentFont().family(),
self.fontDialog.currentFont().pointSize()))
self.changeFontButton.clicked.connect(self.fontButtonClicked)
def showFontWidget(self):
self.changeFontButton.show()
self.penSize1.hide()
self.penSize2.hide()
self.penSize3.hide()
def showPenWidget(self):
self.changeFontButton.hide()
self.penSize1.show()
self.penSize2.show()
self.penSize3.show()
# slots
def colorButtonToggled(self, button):
self.presentColor.setStyleSheet(
'QPushButton { background-color: %s; }' % button.objectName())
self.penColorTrigger.emit(button.objectName())
def sizeButtonToggled(self, button):
self.penSizeTrigger.emit(int(button.objectName()) * 2)
def fontButtonClicked(self):
ok = True
font = QFontDialog.getFont(self)
if font[1]:
self.changeFontButton.setText('{0} {1}'.format(
font[0].family(), font[0].pointSize()))
self.fontChangeTrigger.emit(font[0])
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]]
