schrodinger.application.jaguar.gui.input_tab_widgets_pka module

class schrodinger.application.jaguar.gui.input_tab_widgets_pka.ProjEntryPka(row=None)

Bases: schrodinger.application.jaguar.gui.input_tab_widgets.ProjEntry

PKA_ATOM_PROP = 's_m_pKa_atom'
PKA_VALID = 0
PKA_INVALID = 1
PKA_MISSING = 2
__init__(row=None)

Instantiate a new object

Parameters:row (schrodinger.project.ProjectRow or NoneType) – The project row. If not provided, no data will be loaded.
update(row)

Update this entry with information from the provided row

Parameters:row (schrodinger.project.ProjectRow) – The project row
getStructureWithJagNames()

Return the entry structure with jaguar atom naming applied

Returns:The structure with jaguar atom naming applied
Return type:schrodinger.structure.Structure
reset()

Reset any user-specified settings

checkPkaAtom()

Make sure that a valid pKa atom(s) is specified

Returns:PKA_VALID if all valid pKa atoms are specified, PKA_INVALID if any invalid pKa atom is specified, and PKA_MISSING is no pKa atom is specified.
Return type:int
getPkaAtom()

Get the currently selected pKa atom(s)

Returns:If the currently selected pKa atom(s) is valid, returns the list of atoms itself. Otherwise, returns None.
Return type:list or NoneType
getCharge()

Get the user-specified charge on the structure. If no charge has been set, the default charge will be returned.

Returns:A tuple of: - The charge (int) - Is this a user-specified charge (True) or the default charge (False)
Return type:tuple
getDefaultSpinMult()

Get the default spin multiplicity on the structure for the current charge

Returns:The default spin multiplicity
Return type:int
getIgnoredSpinMult()

If the user has set an invalid spin multiplicity, return it

Returns:If the user has set a spin multiplicity but it’s being ignored, return the user-specified spin multiplicity. Otherwise, return None.
Return type:int or NoneType
getSpinMult()

Get the user-specified spin multiplicity on the structure. If no spin multiplicity has been set or if the user-specified multiplicity is incompatible with the current charge, then the default spin multiplicity will be returned.

Returns:A tuple of: - The spin multiplicity (int) - Is this a user-specified spin multiplicity (True) or the default
spin multiplicity (False)
Return type:tuple
getStrucChargeAndSpinMult()

Get the structure, charge, and spin multiplicity settings. (This is intended for use in loading data into a ProjEntryTuple object.)

Returns:A tuple of (entry_id, structure, charge, spin multiplicity)
Return type:tuple
getStructure()

Get the entry structure

Returns:The structure object
Return type:schrodinger.structure.Structure
row_charge

Make sure we provide an up to date row charge value

setBasisFromText(basis)

Set the basis

Parameters:basis (str) – The full basis set name including *’s and +’s
setIncluded(value)

Include or remove this entry from the workspace.

Parameters:value (int) – A flag indicated whether the entry should be removed from the workspace (WS_REMOVE), included in the workspace(WS_INCLUDED), or set as the only entry in the workspace (WS_INCLUDE_ONLY)
setMethodFromText(theory)

Set the method

Parameters:theory (str) – The method to be set.
setSpinMult(spin_mult)

Set the spin multiplicity

Parameters:spin_mult (int) – The spin multiplicity to set
Returns:True if this is a valid spin multiplicity for the current charge. False otherwise.
Return type:bool
class schrodinger.application.jaguar.gui.input_tab_widgets_pka.ProjEntryTuplePka(entry_id, struc, charge, spin_mult, pka_atom)

Bases: tuple

__contains__

Return key in self.

__init__

Initialize self. See help(type(self)) for accurate signature.

__len__

Return len(self).

charge

Alias for field number 2

count(value) → integer -- return number of occurrences of value
entry_id

Alias for field number 0

index(value[, start[, stop]]) → integer -- return first index of value.

Raises ValueError if the value is not present.

pka_atom

Alias for field number 4

spin_mult

Alias for field number 3

struc

Alias for field number 1

class schrodinger.application.jaguar.gui.input_tab_widgets_pka.InputEntriesColumnsPka

Bases: object

Column constants for the pKa selected entries table

HEADERS = ['ID', 'In', 'Entry Title', 'Charge', 'Spin Mult.', 'pKa Atom']
NUM_COLS = 6
ID = 0
INCLUSION = 1
TITLE = 2
CHARGE = 3
SPIN_MULT = 4
PKA_ATOM = 5
BASIS = -1
__init__

Initialize self. See help(type(self)) for accurate signature.

class schrodinger.application.jaguar.gui.input_tab_widgets_pka.PickingModes

Bases: enum.Enum

An enumeration.

MANUAL = 1
AUTO = 2
SMARTS = 3
class schrodinger.application.jaguar.gui.input_tab_widgets_pka.InputEntriesModelPka(parent)

Bases: schrodinger.application.jaguar.gui.input_tab_widgets.InputEntriesModel

The data model for the pKa selected entries table

Variables:
  • set_pka_marker (PyQt5.QtCore.pyqtSignal) –

    A signal emitted when a new pKa atom should be marked in the workspace. Emitted with two arguments:

  • projUpdated – A signal emitted when the project changes which should trigger a SMARTS search again if picking mode is SMARTS
COLUMN

alias of InputEntriesColumnsPka

set_pka_marker
projUpdated
ROW_CLASS

alias of ProjEntryPka

__init__(parent)

Initialize self. See help(type(self)) for accurate signature.

setPickingMode(mode)

Set the picking mode. This impacts what is shown in the pKa atom column.

Parameters:mode (PickingModes) – the new picking mode
data(self, QModelIndex, role: int = Qt.DisplayRole) → Any
flags(index)

Enable or disable the pka column depending on whether manual editing is enabled or not

Parameters:index (QtCore.QModelIndex) – The model index to get flags for.
setData(index, value, role=2)

Set data for the specified index. The spin multiplicity tool tip will be shown if an invalid spin multiplicity is set, or if a charge is set that renders the spin multiplicity invalid. (The tool tip explains that the default spin multiplicity is being used because the user-specifed value is invalid.)

Parameters:
  • index (PyQt5.QtCore.QModelIndex) – The index to modify
  • value – The value to set
  • role (int) – The role to set data for. Must be Qt.EditRole or setting will fail.
Returns:

True if setting succeeded. False if it failed.

Return type:

bool

updatePkaAtomsFromSmarts(smarts_models)

Update pKa atoms of entry rows based on patterns given by a list of SMARTS patterns and atom positions.

Parameters:smarts_models (list(SmartsPageModel)) – a list of smarts patterns to search for in each structure. The list may be empty.
projectUpdated()

Update the table when the project is updated

getStructures()

Get a list of all structures loaded into the table (i.e. all structures selected in the project table) and the associated settings.

Returns:A list of ProjEntryTuple objects
Return type:list
checkPkaAtoms()

Make sure that all structure have a valid pKa atom selected

Returns:A tuple of - A list of structures with invalid pKa atoms - A list of structures with no pKa atom
Return type:tuple
addPkaMarkers(index, start_row, end_row)

Add pKa workspace atom markers for the specified rows

Parameters:
  • index – Not used, but present for Qt compatability
  • start_row (int) – The first row to add a pKa marker to
  • end_row (int) – The last row to add a pKa marker to
removePkaMarkers(index, start_row, end_row)

Remove the pKa workspace atom markers for the specified rows

Parameters:
  • index – Not used, but present for Qt compatibility
  • start_row (int) – The first row to add a pKa marker to
  • end_row (int) – The last row to add a pKa marker to
class CheckIndexOption

Bases: enum.IntEnum

An enumeration.

DoNotUseParent = 2
IndexIsValid = 1
NoOption = 0
ParentIsInvalid = 4
class CheckIndexOptions

Bases: sip.simplewrapper

QAbstractItemModel.CheckIndexOptions(Union[QAbstractItemModel.CheckIndexOptions, QAbstractItemModel.CheckIndexOption]) QAbstractItemModel.CheckIndexOptions(QAbstractItemModel.CheckIndexOptions)

__init__

Initialize self. See help(type(self)) for accurate signature.

ERROR_BACKGROUND_BRUSH = <PyQt5.QtGui.QBrush object>
ERROR_POST = '</span>'
ERROR_PRE = "<span style='color:red'>"
HorizontalSortHint = 2
class LayoutChangeHint

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x222b518>
NoLayoutChangeHint = 0
VerticalSortHint = 1
basisChanged
beginInsertColumns(self, QModelIndex, int, int)
beginInsertRows(self, QModelIndex, int, int)
beginMoveColumns(self, QModelIndex, int, int, QModelIndex, int) → bool
beginMoveRows(self, QModelIndex, int, int, QModelIndex, int) → bool
beginRemoveColumns(self, QModelIndex, int, int)
beginRemoveRows(self, QModelIndex, int, int)
beginResetModel(self)
blockSignals(self, bool) → bool
buddy(self, QModelIndex) → QModelIndex
canDropMimeData(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool
canFetchMore(self, QModelIndex) → bool
changePersistentIndex(self, QModelIndex, QModelIndex)
changePersistentIndexList(self, Iterable[QModelIndex], Iterable[QModelIndex])
chargedStrucsPresent()

Determine if the user has specified any molecular charges

Returns:True if the user has specified a molecular charge for any molecule. False otherwise.
Return type:bool
checkBasisSets()

Make sure that all structure have a valid basis set selected

Returns:A list of structures with invalid basis sets
Return type:list
checkIndex(self, QModelIndex, options: Union[QAbstractItemModel.CheckIndexOptions, QAbstractItemModel.CheckIndexOption] = QAbstractItemModel.CheckIndexOption.NoOption) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
clearRows()

Clear all row data

columnCount(self, parent: QModelIndex = QModelIndex()) → int
columnsAboutToBeInserted

columnsAboutToBeInserted(self, QModelIndex, int, int) [signal]

columnsAboutToBeMoved

columnsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]

columnsAboutToBeRemoved

columnsAboutToBeRemoved(self, QModelIndex, int, int) [signal]

columnsInserted

columnsInserted(self, QModelIndex, int, int) [signal]

columnsMoved

columnsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]

columnsRemoved

columnsRemoved(self, QModelIndex, int, int) [signal]

connectNotify(self, QMetaMethod)
copyChargeMultBasisFromModel(copy_model)

Copy the charge, spin and basis set information from the given model to this model.

Parameters:copy_model (InputEntriesModel) – The model to copy information from
Raises:RuntimeError – If the rows in the model are not in the same order
createIndex(self, int, int, object: object = 0) → QModelIndex
customEvent(self, QEvent)
dataChanged

dataChanged(self, QModelIndex, QModelIndex, roles: Iterable[int] = []) [signal]

decodeData(self, int, int, QModelIndex, QDataStream) → bool
deleteLater(self)
destroyed

destroyed(self, object: QObject = None) [signal]

disconnect(self)
disconnectNotify(self, QMetaMethod)
dropMimeData(self, QMimeData, Qt.DropAction, int, int, QModelIndex) → bool
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
encodeData(self, Iterable[QModelIndex], QDataStream)
endInsertColumns(self)
endInsertRows(self)
endMoveColumns(self)
endMoveRows(self)
endRemoveColumns(self)
endRemoveRows(self)
endResetModel(self)
entryIds()

Get a set of entry ids for all selected entries

entryTitles()

Get a dictionary of {entry id: entry title} for all selected entries

event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
fetchMore(self, QModelIndex)
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

getBasisForEid(eid, per_atom_name)

Get the basis set for the specified entry id. If there are per-atom basis sets specified for the structure, the per_atom_name will be returned.

Parameters:
  • eid (str) – The entry id
  • per_atom_name (str) – The name to return if per-atom basis sets are specified
Returns:

The basis set name, or per_atom_name if per-atom basis sets are specified

Return type:

Basis or str

getCommonBasis()

If all structures use the same basis set, return the basis set name. Otherwise, return None.

Note:The basis set returned here is not guaranteed to be the default basis set. The user may have specified identical per-structure basis sets for all structures.
Returns:The basis set name or None
Return type:str or NoneType
getCommonMethod()

If all structures use the same method, return the method name. Otherwise, return None.

Note:The method returned here is not guaranteed to be the default method. The user may have specified identical per-structure methods for all structures.
Returns:The method name or None
Return type:str or NoneType
getMethodForEid(eid)

Return the method for the specified entry ID.

Parameters:eid (int) – Entry ID to get method for.
Returns:Method for this entry ID.
Return type:str
hasChildren()
hasIndex(self, int, int, parent: QModelIndex = QModelIndex()) → bool
headerData(self, int, Qt.Orientation, role: int = Qt.DisplayRole) → Any
headerDataChanged

headerDataChanged(self, Qt.Orientation, int, int) [signal]

index(self, int, int, parent: QModelIndex = QModelIndex()) → QModelIndex
inherits(self, str) → bool
insertColumn(self, int, parent: QModelIndex = QModelIndex()) → bool
insertColumns(self, int, int, parent: QModelIndex = QModelIndex()) → bool
insertRow(self, int, parent: QModelIndex = QModelIndex()) → bool
insertRows(self, int, int, parent: QModelIndex = QModelIndex()) → bool
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
itemData(self, QModelIndex) → Dict[int, Any]
killTimer(self, int)
layoutAboutToBeChanged

layoutAboutToBeChanged(self, parents: Iterable[QPersistentModelIndex] = [], hint: QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]

layoutChanged

layoutChanged(self, parents: Iterable[QPersistentModelIndex] = [], hint: QAbstractItemModel.LayoutChangeHint = QAbstractItemModel.NoLayoutChangeHint) [signal]

match(self, QModelIndex, int, Any, hits: int = 1, flags: Union[Qt.MatchFlags, Qt.MatchFlag] = Qt.MatchStartsWith|Qt.MatchWrap) → List[QModelIndex]
metaObject(self) → QMetaObject
mimeData(self, Iterable[QModelIndex]) → QMimeData
mimeTypes(self) → List[str]
modelAboutToBeReset

modelAboutToBeReset(self) [signal]

modelReset

modelReset(self) [signal]

moveColumn(self, QModelIndex, int, QModelIndex, int) → bool
moveColumns(self, QModelIndex, int, int, QModelIndex, int) → bool
moveRow(self, QModelIndex, int, QModelIndex, int) → bool
moveRows(self, QModelIndex, int, int, QModelIndex, int) → bool
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

parent(self) → QObject
perAtomBasisChanged(eid)

Respond to the user changing a per-atom basis set for the specified entry ID. A per-atom basis set change could change the validity of the current basis set for the structure, so we emit dataChanged. This triggers the view to re-color the background of the cell.

Parameters:eid (str) – The entry ID
persistentIndexList(self) → List[QModelIndex]
property(self, str) → Any
pyqtConfigure(...)

Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.

receivers(self, PYQT_SIGNAL) → int
removeColumn(self, int, parent: QModelIndex = QModelIndex()) → bool
removeColumns(self, int, int, parent: QModelIndex = QModelIndex()) → bool
removeEventFilter(self, QObject)
removeRow(self, int, parent: QModelIndex = QModelIndex()) → bool
removeRows(self, int, int, parent: QModelIndex = QModelIndex()) → bool
reset()

Reset all charge, spin multiplicity, and basis settings

resetBasisForRows(indices)

Reset the basis set to the default for the specified indices.

Parameters:indices (list(QModelIndex)) – Indices to be Reset
resetInternalData(self)
resetTheoryForRows(indices)

Reset the method to the default for the specified indices.

Parameters:indices (list(QModelIndex)) – Indices to be Reset
revert(self)
roleNames(self) → Dict[int, QByteArray]
rowCount(self, parent: QModelIndex = QModelIndex()) → int
rowsAboutToBeInserted

rowsAboutToBeInserted(self, QModelIndex, int, int) [signal]

rowsAboutToBeMoved

rowsAboutToBeMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]

rowsAboutToBeRemoved

rowsAboutToBeRemoved(self, QModelIndex, int, int) [signal]

rowsInserted

rowsInserted(self, QModelIndex, int, int) [signal]

rowsMoved

rowsMoved(self, QModelIndex, int, int, QModelIndex, int) [signal]

rowsRemoved

rowsRemoved(self, QModelIndex, int, int) [signal]

sender(self) → QObject
senderSignalIndex(self) → int
setDefaultBasis(basis)

Set the default basis set. Note: This will also clear any previously assigned non-default values.

Parameters:basis (str) – The default basis set
setDefaultTheory(theory)

Set the default theory level/method Note: This will also clear any previously assigned non-default values.

Parameters:theory (str) – The default theory level/method
setHeaderData(self, int, Qt.Orientation, Any, role: int = Qt.EditRole) → bool
setItemData(self, QModelIndex, Dict[int, Any]) → bool
setObjectName(self, str)
setParent(self, QObject)
setPerAtomBasisModel(per_atom_basis_model)

Connect this model to the per-atom basis set model from the Basis Set sub-tab.

Parameters:per_atom_basis_model (schrodinger.application.jaguar.gui.tabs. sub_tab_widgets.basis_set_widgets.BasisSetModel) – The per-atom basis set model
setProperty(self, str, Any) → bool
setSource(source)

Specify the row source, i.e., included entries or selected entries

Parameters:source (UseFrom or schrodinger.ui.qt.input_selector.InputSelector class constant that maps to a UseFrom enum) – The row source
show_tool_tip
sibling(self, int, int, QModelIndex) → QModelIndex
signalsBlocked(self) → bool
sort(self, int, order: Qt.SortOrder = Qt.AscendingOrder)
source()

Return the row source, i.e., included entries or selected entries

Returns:The row source
Return type:UseFrom
span(self, QModelIndex) → QSize
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
submit(self) → bool
supportedDragActions(self) → Qt.DropActions
supportedDropActions(self) → Qt.DropActions
theoryChanged
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
usingSelected()

Return True if the tab is set to use selected entries. False if the tab is set to use included entries.

workspaceChanged(what_changed)

If the workspace changed, update data in case the user changed the charge of a molecule.

Parameters:what_changed (str) – A flag indicating what changed in the workspace
Note:This function is called before the workspace changes have propagated to the project table. As such, we use a QTimer to wait until after the changes have propagated before updating.
class schrodinger.application.jaguar.gui.input_tab_widgets_pka.InputEntriesViewPka(parent)

Bases: schrodinger.application.jaguar.gui.input_tab_widgets.InputEntriesView

The view for the pKa selected entries table

Variables:set_pka_marker (PyQt5.QtCore.pyqtSignal) –

A signal emitted when a new pKa atom should be marked in the workspace. Emitted with two arguments:

COLUMN

alias of InputEntriesColumnsPka

set_pka_marker
setEditablePkaAtomDelegate(editable)

Add the delegates to the pKa column

Parameters:editable – Whether to set the editable default message delegate or to set the Qt default delegate
AboveItem = 1
AdjustIgnored = 0
AdjustToContents = 2
AdjustToContentsOnFirstShow = 1
AllEditTriggers = 31
AnimatingState = 6
AnyKeyPressed = 16
BelowItem = 2
Box = 1
CollapsingState = 5
ContiguousSelection = 4
CurrentChanged = 1
class CursorAction

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x219b908>
DoubleClicked = 2
DragDrop = 3
class DragDropMode

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x219bcb8>
DragOnly = 1
DragSelectingState = 2
DraggingState = 1
DrawChildren = 2
DrawWindowBackground = 1
class DropIndicatorPosition

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1fdb798>
DropOnly = 2
EditKeyPressed = 8
class EditTrigger

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1fdbb48>
class EditTriggers

Bases: sip.simplewrapper

QAbstractItemView.EditTriggers(Union[QAbstractItemView.EditTriggers, QAbstractItemView.EditTrigger]) QAbstractItemView.EditTriggers(QAbstractItemView.EditTriggers)

__init__

Initialize self. See help(type(self)) for accurate signature.

EditingState = 3
EnsureVisible = 0
ExpandingState = 4
ExtendedSelection = 3
HLine = 4
IgnoreMask = 4
InternalMove = 4
MoveDown = 1
MoveEnd = 5
MoveHome = 4
MoveLeft = 2
MoveNext = 8
MovePageDown = 7
MovePageUp = 6
MovePrevious = 9
MoveRight = 3
MoveUp = 0
MultiSelection = 2
NoDragDrop = 0
NoEditTriggers = 0
NoFrame = 0
NoSelection = 0
NoState = 0
OnItem = 0
OnViewport = 3
class PaintDeviceMetric

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1d30028>
Panel = 2
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Plain = 16
PositionAtBottom = 2
PositionAtCenter = 3
PositionAtTop = 1
Raised = 32
class RenderFlag

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2847968>
class RenderFlags

Bases: sip.simplewrapper

QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)

__init__

Initialize self. See help(type(self)) for accurate signature.

class ScrollHint

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1fdc728>
class ScrollMode

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1fdcad8>
ScrollPerItem = 0
ScrollPerPixel = 1
SelectColumns = 2
SelectItems = 0
SelectRows = 1
SelectedClicked = 4
class SelectionBehavior

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1fdce88>
class SelectionMode

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1fdd238>
class Shadow

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x4ab1d78>
Shadow_Mask = 240
class Shape

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x4ab2128>
Shape_Mask = 15
SingleSelection = 1
class SizeAdjustPolicy

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1fdd998>
class State

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1fdd5e8>
class StyleMask

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x4ab24d8>
StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
__init__(parent)

Instantiate the view, connect the appropriate delegates, and set the selection behavior to mimic the project table.

acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
activated

activated(self, QModelIndex) [signal]

addAction(self, QAction)
addActions(self, Iterable[QAction])
addScrollBarWidget(self, QWidget, Union[Qt.Alignment, Qt.AlignmentFlag])
adjustSize(self)
alternatingRowColors(self) → bool
autoFillBackground(self) → bool
autoScrollMargin(self) → int
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget

childAt(self, int, int) -> QWidget

childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
clearSelection(self)
clearSpans(self)
clicked

clicked(self, QModelIndex) [signal]

close(self) → bool
closeEditor(self, QWidget, QAbstractItemDelegate.EndEditHint)
closeEvent(self, QCloseEvent)
closePersistentEditor(self, QModelIndex)
colorCount(self) → int
columnAt(self, int) → int
columnCountChanged(self, int, int)
columnMoved(self, int, int, int)
columnResized(self, int, int, int)
columnSpan(self, int, int) → int
columnViewportPosition(self, int) → int
columnWidth(self, int) → int
commitData(self, QWidget)
commitDataToSelected(editor, index, delegate)

Commit data to all selected cells in the column that is currently being edited.

Parameters:
  • editor (PyQt5.QtWidgets.QWidget) – The editor being used to enter data
  • index (PyQt5.QtCore.QModelIndex) – The index being edited
  • delegate (PyQt5.QtWidgets.QAbstractItemDelegate) – The delegate used to create the editor
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
cornerWidget(self) → QWidget
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
currentChanged(self, QModelIndex, QModelIndex)
currentIndex(self) → QModelIndex
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
dataChanged(self, QModelIndex, QModelIndex, roles: Iterable[int] = [])
defaultDropAction(self) → Qt.DropAction
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

destroyed(self, object: QObject = None) [signal]

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
dirtyRegionOffset(self) → QPoint
disconnect(self)
disconnectNotify(self, QMetaMethod)
doubleClicked

doubleClicked(self, QModelIndex) [signal]

dragDropMode(self) → QAbstractItemView.DragDropMode
dragDropOverwriteMode(self) → bool
dragEnabled(self) → bool
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
drawFrame(self, QPainter)
dropEvent(self, QDropEvent)
dropIndicatorPosition(self) → QAbstractItemView.DropIndicatorPosition
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
edit(self, QModelIndex)

edit(self, QModelIndex, QAbstractItemView.EditTrigger, QEvent) -> bool

editTriggers(self) → QAbstractItemView.EditTriggers
editorDestroyed(self, QObject)
effectiveWinId(self) → sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
entered

entered(self, QModelIndex) [signal]

event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
executeDelayedItemsLayout(self)
find(sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)

grabMouse(self, Union[QCursor, Qt.CursorShape])

grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
gridStyle(self) → Qt.PenStyle
hasAutoScroll(self) → bool
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideColumn(self, int)
hideEvent(self, QHideEvent)
hideRow(self, int)
horizontalHeader(self) → QHeaderView
horizontalOffset(self) → int
horizontalScrollBar(self) → QScrollBar
horizontalScrollBarPolicy(self) → Qt.ScrollBarPolicy
horizontalScrollMode(self) → QAbstractItemView.ScrollMode
horizontalScrollbarAction(self, int)
horizontalScrollbarValueChanged(self, int)
iconSize(self) → QSize
iconSizeChanged

iconSizeChanged(self, QSize) [signal]

indexAt(self, QPoint) → QModelIndex
indexWidget(self, QModelIndex) → QWidget
inherits(self, str) → bool
initPainter(self, QPainter)
initStyleOption(self, QStyleOptionFrame)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHints
inputMethodQuery(self, Qt.InputMethodQuery) → Any
insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isColumnHidden(self, int) → bool
isCornerButtonEnabled(self) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isIndexHidden(self, QModelIndex) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isPersistentEditorOpen(self, QModelIndex) → bool
isRightToLeft(self) → bool
isRowHidden(self, int) → bool
isSignalConnected(self, QMetaMethod) → bool
isSortingEnabled(self) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
itemDelegate(self) → QAbstractItemDelegate

itemDelegate(self, QModelIndex) -> QAbstractItemDelegate

itemDelegateForColumn(self, int) → QAbstractItemDelegate
itemDelegateForRow(self, int) → QAbstractItemDelegate
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
keyboardSearch(self, str)
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
lineWidth(self) → int
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, QWidget, QPoint) → QPoint
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumViewportSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
model(self) → QAbstractItemModel
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)

move(self, int, int)

moveCursor(self, QAbstractItemView.CursorAction, Union[Qt.KeyboardModifiers, Qt.KeyboardModifier]) → QModelIndex
moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

openPersistentEditor(self, QModelIndex)
overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
pos(self) → QPoint
pressed

pressed(self, QModelIndex) [signal]

previousInFocusChain(self) → QWidget
property(self, str) → Any
pyqtConfigure(...)

Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

repaint(self)

repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)

reset(self)
resetBasisOfSelectedRows()

Reset the basis set of the currently selected rows.

resetHorizontalScrollMode(self)
resetTheoryOfSelectedRows()

Reset the theory level of the currently selected rows.

resetVerticalScrollMode(self)
resize(self, QSize)

resize(self, int, int)

resizeColumnToContents(self, int)
resizeColumnsToContents(self)
resizeEvent(self, QResizeEvent)
resizeRowToContents(self, int)
resizeRowsToContents(self)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
rootIndex(self) → QModelIndex
rowAt(self, int) → int
rowCountChanged(self, int, int)
rowHeight(self, int) → int
rowMoved(self, int, int, int)
rowResized(self, int, int, int)
rowSpan(self, int, int) → int
rowViewportPosition(self, int) → int
rowsAboutToBeRemoved(self, QModelIndex, int, int)
rowsInserted(self, QModelIndex, int, int)
saveGeometry(self) → QByteArray
scheduleDelayedItemsLayout(self)
scroll(self, int, int)

scroll(self, int, int, QRect)

scrollBarWidgets(self, Union[Qt.Alignment, Qt.AlignmentFlag]) → List[QWidget]
scrollContentsBy(self, int, int)
scrollDirtyRegion(self, int, int)
scrollTo(self, QModelIndex, hint: QAbstractItemView.ScrollHint = QAbstractItemView.EnsureVisible)
scrollToBottom(self)
scrollToTop(self)
selectAll(self)
selectColumn(self, int)
selectRow(self, int)
selectedIndexes(self) → List[QModelIndex]
selectionBehavior(self) → QAbstractItemView.SelectionBehavior
selectionChanged(self, QItemSelection, QItemSelection)
selectionCommand(index, event=None)

Don’t update the current selection when using the keyboard to navigate or when clicking on a selected editable item.

Parameters:
  • index (PyQt5.QtCore.QModelIndex) – The newly selected index
  • event (PyQt5.QtCore.QEvent) – The event that triggered the index change
Returns:

A flag describing how the selection should be updated

Return type:

int

selectionContainsNonDefaultBasisSets()
Returns:True if the current selection contains a non-default basis set, False otherwise.
Return type:bool
selectionContainsNonDefaultMethod()
Returns:True if the current selection contains a non-default theory level, False otherwise.
Return type:bool
selectionMode(self) → QAbstractItemView.SelectionMode
selectionModel(self) → QItemSelectionModel
sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAlternatingRowColors(self, bool)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setAutoScroll(self, bool)
setAutoScrollMargin(self, int)
setBackgroundRole(self, QPalette.ColorRole)
setBaseSize(self, int, int)

setBaseSize(self, QSize)

setColumnHidden(self, int, bool)
setColumnWidth(self, int, int)
setContentsMargins(self, int, int, int, int)

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCornerButtonEnabled(self, bool)
setCornerWidget(self, QWidget)
setCurrentIndex(self, QModelIndex)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDefaultDropAction(self, Qt.DropAction)
setDirtyRegion(self, QRegion)
setDisabled(self, bool)
setDragDropMode(self, QAbstractItemView.DragDropMode)
setDragDropOverwriteMode(self, bool)
setDragEnabled(self, bool)
setDropIndicatorShown(self, bool)
setEditTriggers(self, Union[QAbstractItemView.EditTriggers, QAbstractItemView.EditTrigger])
setEnabled(self, bool)
setFixedHeight(self, int)
setFixedSize(self, QSize)

setFixedSize(self, int, int)

setFixedWidth(self, int)
setFocus(self)

setFocus(self, Qt.FocusReason)

setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setFrameRect(self, QRect)
setFrameShadow(self, QFrame.Shadow)
setFrameShape(self, QFrame.Shape)
setFrameStyle(self, int)
setGeometry(self, QRect)

setGeometry(self, int, int, int, int)

setGraphicsEffect(self, QGraphicsEffect)
setGridStyle(self, Qt.PenStyle)
setHidden(self, bool)
setHorizontalHeader(self, QHeaderView)
setHorizontalScrollBar(self, QScrollBar)
setHorizontalScrollBarPolicy(self, Qt.ScrollBarPolicy)
setHorizontalScrollMode(self, QAbstractItemView.ScrollMode)
setIconSize(self, QSize)
setIndexWidget(self, QModelIndex, QWidget)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setItemDelegate(self, QAbstractItemDelegate)
setItemDelegateForColumn(column, delegate, connect_selected=False)

Set the delegate for the specified column. Note that this function adds the optional connect_selected argument not present in the QTableView function.

Parameters:
  • column (int) – The column to set the delegate for
  • delegate (PyQt5.QtWidgets.QAbstractItemDelegate) – The delegate to set
  • connect_selected (bool) – If True, the delegate’s commitDataToSelected signal will be connected
setItemDelegateForRow(self, int, QAbstractItemDelegate)
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLineWidth(self, int)
setLocale(self, QLocale)
setMask(self, QBitmap)

setMask(self, QRegion)

setMaximumHeight(self, int)
setMaximumSize(self, int, int)

setMaximumSize(self, QSize)

setMaximumWidth(self, int)
setMidLineWidth(self, int)
setMinimumHeight(self, int)
setMinimumSize(self, int, int)

setMinimumSize(self, QSize)

setMinimumWidth(self, int)
setModel(self, QAbstractItemModel)
setMouseTracking(self, bool)
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)

setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])

setProperty(self, str, Any) → bool
setRootIndex(self, QModelIndex)
setRowHeight(self, int, int)
setRowHidden(self, int, bool)
setSelection(self, QRect, Union[QItemSelectionModel.SelectionFlags, QItemSelectionModel.SelectionFlag])
setSelectionBehavior(self, QAbstractItemView.SelectionBehavior)
setSelectionMode(self, QAbstractItemView.SelectionMode)
setSelectionModel(self, QItemSelectionModel)
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setShowGrid(self, bool)
setSizeAdjustPolicy(self, QAbstractScrollArea.SizeAdjustPolicy)
setSizeIncrement(self, int, int)

setSizeIncrement(self, QSize)

setSizePolicy(self, QSizePolicy)

setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)

setSortingEnabled(self, bool)
setSpan(self, int, int, int, int)
setState(self, QAbstractItemView.State)
setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
setTabKeyNavigation(self, bool)
setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setTextElideMode(self, Qt.TextElideMode)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setVerticalHeader(self, QHeaderView)
setVerticalScrollBar(self, QScrollBar)
setVerticalScrollBarPolicy(self, Qt.ScrollBarPolicy)
setVerticalScrollMode(self, QAbstractItemView.ScrollMode)
setViewport(self, QWidget)
setViewportMargins(self, int, int, int, int)

setViewportMargins(self, QMargins)

setVisible(self, bool)
setWhatsThis(self, str)
setWindowFilePath(self, str)
setWindowFlag(self, Qt.WindowType, on: bool = True)
setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
setWordWrap(self, bool)
setupViewport(self, QWidget)
sharedPainter(self) → QPainter
show(self)
showColumn(self, int)
showDropIndicator(self) → bool
showEvent(self, QShowEvent)
showFullScreen(self)
showGrid(self) → bool
showMaximized(self)
showMinimized(self)
showNormal(self)
showRow(self, int)
showToolTip(index)

Show the tool tip for the specified index in response to the model emitting a show_tool_tip signal. (Note that this function has nothing to do with tool tips being shown when the user hovers over a cell.)

Parameters:index (PyQt5.QtCore.QModelIndex) – The index to show the tool tip for
signalsBlocked(self) → bool
size(self) → QSize
sizeAdjustPolicy(self) → QAbstractScrollArea.SizeAdjustPolicy
sizeHint(self) → QSize
sizeHintForColumn(self, int) → int
sizeHintForIndex(self, QModelIndex) → QSize
sizeHintForRow(self, int) → int
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
sortByColumn(self, int, Qt.SortOrder)
stackUnder(self, QWidget)
startDrag(self, Union[Qt.DropActions, Qt.DropAction])
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
state(self) → QAbstractItemView.State
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabKeyNavigation(self) → bool
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
textElideMode(self) → Qt.TextElideMode
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = -1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)

update(self, QModelIndex)

updateEditorData(self)
updateEditorGeometries(self)
updateGeometries(self)
updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
verticalHeader(self) → QHeaderView
verticalOffset(self) → int
verticalScrollBar(self) → QScrollBar
verticalScrollBarPolicy(self) → Qt.ScrollBarPolicy
verticalScrollMode(self) → QAbstractItemView.ScrollMode
verticalScrollbarAction(self, int)
verticalScrollbarValueChanged(self, int)
viewOptions(self) → QStyleOptionViewItem
viewport(self) → QWidget
viewportEntered

viewportEntered(self) [signal]

viewportEvent(self, QEvent) → bool
viewportMargins(self) → QMargins
viewportSizeHint(self) → QSize
visibleRegion(self) → QRegion
visualRect(self, QModelIndex) → QRect
visualRegionForSelection(self, QItemSelection) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

windowModality(self) → Qt.WindowModality
windowOpacity(self) → float
windowRole(self) → str
windowState(self) → Qt.WindowStates
windowTitle(self) → str
windowTitleChanged

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
wordWrap(self) → bool
x(self) → int
y(self) → int
class schrodinger.application.jaguar.gui.input_tab_widgets_pka.SmartsPageModel(default_value=<object object>, _param_type=<object object>, **kwargs)

Bases: schrodinger.models.parameters.CompoundParam

Model for a single page which contains the a single smarts string and single atom position index.

atom_pos
smarts
DataClass

alias of builtins.object

__init__(default_value=<object object>, _param_type=<object object>, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

classmethod addSubParam(name, param, update_owner=True)
atom_posChanged
atom_posReplaced
blockSignals(self, bool) → bool
block_signal_propagation()
childEvent(self, QChildEvent)
children(self) → List[QObject]
classmethod configureParam()

Override this class method to set up the abstract param class (e.g. setParamReference on child params.)

connectNotify(self, QMetaMethod)
customEvent(self, QEvent)
classmethod defaultValue(*args, **kwargs)
deleteLater(self)
destroyed

destroyed(self, object: QObject = None) [signal]

disconnect(self)
disconnectNotify(self, QMetaMethod)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

classmethod fromJson(json_obj)

A factory method which constructs a new object from a given dict loaded from a json string or file.

Parameters:json_obj (dict) – A json-loaded dictionary to create an object from.
Returns:An instance of this class.

:rtype : cls

classmethod fromJsonImplementation(json_dict)

Sets the value of this compound param value object from a JSON dict.

getAbstractParam(*args, **kwargs)
classmethod getJsonBlacklist()

Override to customize what params are serialized.

Implementations should return a list of abstract params that should be omitted from serialization.

..NOTE
Returned abstract params must be direct child params of cls, e.g. cls.name, not cls.coord.x.
classmethod getParamSignal(*args, **kwargs)
classmethod getParamValue(*args, **kwargs)
classmethod getSubParam(name)

Get the value of a subparam using the string name:

c = Coord()
assert c.getSubParam('x') == 0

Note

Using the string name to accss params is generally discouraged, but can be useful for serializing/deserializing param data.

Parameters:name (str) – The name of the subparam to get the value for.
classmethod getSubParams()

Return a dictionary mapping subparam names to their values.

get_version()

Method to get the version of a particular object. Defaults to the current version of mmshare. This class can be overridden for custom versioning behavior.

inherits(self, str) → bool
initAbstract()
initConcrete()

Override to customize initialization of concrete params.

initializeValue()

Override to dynamically set up the default value of the param. Useful for default values that are determined at runtime. This is called any time the param is reset.

installEventFilter(self, QObject)
classmethod isAbstract()

Whether the param is an “abstract” param.

isDefault(*args, **kwargs)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

classmethod owner()

Get the owner of the param:

# Can be called on an abstract param:
assert Coord.x.owner() == Coord

# ...or on an instance of a CompoundParam
a = Atom()
assert a.coord.owner() == a
classmethod ownerChain()

Returns a list of param owners starting from the toplevel param and ending with self. Examples:

foo.bar.atom.coord.ownerChain() will return [foo, bar, atom, coord] where every item is a concrete param.

Foo.bar.atom.coord.x.ownerChain() will return [Foo, Foo.bar, Foo.atom.coord, Foo.atom.coord.x] where every item is an abstract params.

classmethod paramName()

Get the name of the param:

# Can be called on an abstract param:
print(Coord.x.paramName()) # 'x'

# ...or on an instance of a CompoundParam
a = Atom()
a.coord.paramName() # 'coord'
parent(self) → QObject
property(self, str) → Any
pyqtConfigure(...)

Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.

receivers(self, PYQT_SIGNAL) → int
removeEventFilter(self, QObject)
reset(*args, **kwargs)
sender(self) → QObject
senderSignalIndex(self) → int
setObjectName(self, str)
classmethod setParamValue(*args, **kwargs)
setParent(self, QObject)
setProperty(self, str, Any) → bool
classmethod setReference(param1, param2)

Call this class method from configureParam to indicate that two params should be kept in sync. The initial values will start with the default value of param1. Example:

class Square(CompoundParam):
    width: float = 5
    height: float = 10

    @classmethod
    def configureParam(cls):
        super().configureParam()
        cls.setReference(cls.width, cls.height)

square = Square()
assert square.width == square.height == 5 # Default value of width
                                          # takes priority
square.height = 7
assert square.width == square.height == 7
square.width = 6
assert square.width == square.height == 6
Parameters:
  • param1 – The first abstract param to keep synced
  • param2 – The second abstract param. After instantiation, this param will take on the value of param1.
setValue(*args, **kwargs)
signalsBlocked(self) → bool
skip_eq_check()
smartsChanged
smartsReplaced
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, QTimerEvent)
toDict(*args, **kwargs)
toJson(_mark_version=True)

Create and returns a data structure made up of jsonable items.

Return type:An instance of one the classes from NATIVE_JSON_DATATYPES
toJsonImplementation(*args, **kwargs)
tr(self, str, disambiguation: str = None, n: int = -1) → str
valueChanged
class schrodinger.application.jaguar.gui.input_tab_widgets_pka.PkaPage(*args, **kwargs)

Bases: schrodinger.models.mappers.MapperMixin, schrodinger.ui.qt.basewidgets.BaseWidget

model_class

alias of SmartsPageModel

ui_module = <module 'schrodinger.application.jaguar.gui.ui.pka_smarts_page_ui' from '/scr/buildbot/savedbuilds/2020-2/NB/build-063/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/pka_smarts_page_ui.py'>
initSetUp()

Creates widget from ui and stores it ui_widget.

Suggested subclass use: create and initialize subwidgets, and connect signals.

updateSpinBoxLimits()

Update limits of atom position spin box to reflect the number of atoms in the SMARTS string

defineMappings()

Override this in the subclass to define mappings. Should return a list of tuples [(<target>, <param>)]. Targets can be

  1. a basic widget, like QLineEdit or QComboBox
  2. a custom object that inherits MapperMixin or TargetMixin
  3. a TargetSpec instance
  4. a slot

For common widgets, standard signals and getter/setter methods will be used, as defined in mappers._get_default_access_names().

For more fine-grained custom control, instantiate a TargetSpec object, which allows custom setters, getters, and signals to be specified.

Supplying a slot as the first element of the tuple is equivalent to providing TargetSpec(slot=my_slot).

Note that all target slots are triggered on setModel() as well as in response to the specified signal.

The param is an abstract param reference, e.g. MyModel.my_param.

Example:

def defineMappings(self):
    combo = self.style_combo
    return [(self.name_le, MyModel.name),
            (TargetSpec(combo,
                    getter=combo.currentText,
                    setter=combo.setCurrentText), MyModel.style),
            (self.coord_widget, MyModel.coord),
            (self._onASLTextChanged, MyModel.asl_text)]
getFromSelection()

Get smarts from selected atoms in workspace and add it to the current page

class BtnPos

Bases: enum.IntEnum

An enumeration.

Left = 0
Middle = 1
Right = 2
DrawChildren = 2
DrawWindowBackground = 1
IgnoreMask = 4
class PaintDeviceMetric

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1d30028>
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
class RenderFlag

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2847968>
class RenderFlags

Bases: sip.simplewrapper

QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)

__init__

Initialize self. See help(type(self)) for accurate signature.

SHOW_AS_WINDOW = False
class StdBtn

Bases: enum.IntEnum

An enumeration.

Cancel = 1
Help = 3
Ok = 0
Reset = 2
__init__(*args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

acceptDrops(self) → bool
accepted
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, QAction)
addActions(self, Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget

childAt(self, int, int) -> QWidget

childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
closeEvent(event)

Ensures proper handling of OK, Cancel, and [X] button clicks

colorCount(self) → int
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
debug()
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

destroyed(self, object: QObject = None) [signal]

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(self)
disconnectNotify(self, QMetaMethod)
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
dropEvent(self, QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
error(*args, **kwargs)

Shows a popup error message box. For parameter documentation see messagebox.MessageBox.

event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
forgetMessageBoxResponse(key)

Forgets any previously saved response that was stored via a save_response_key.

Parameters:key – the key for the response to forget
frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
getModel()
getSignalsAndSlots(model)

Override this method to specify signal and slot pairs that need to be connected/disconnected whenever the model instance is switched using setModel. The model instance is provided as an argument so that instance-specific signals can be used, but any pairs of signals and slots may be returned from this method.

Returns:a list of 2-tuples where each tuple is a signal, slot pair
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)

grabMouse(self, Union[QCursor, Qt.CursorShape])

grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(self, QHideEvent)
info(*args, **kwargs)

Shows a popup information message box. For parameter documentation see messagebox.MessageBox.

inherits(self, str) → bool
initFinalize()

Suggested subclass use: perform any remaining initialization.

initLayOut()

@overrides: widgetmixins.InitMixin

initPainter(self, QPainter)
initSetDefaults()

@overrides: widgetmixins.InitMixin

initSetOptions()

Suggested subclass use: set instance variables, excluding layouts and subwidgets.

inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHints
inputMethodQuery(self, Qt.InputMethodQuery) → Any
insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
makeInitialModel()
mapFrom(self, QWidget, QPoint) → QPoint
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mappedParams()

Return a list of the abstract params that are mapped to.

mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
model
modelChanged
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)

move(self, int, int)

moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
pos(self) → QPoint
previousInFocusChain(self) → QWidget
property(self, str) → Any
pyqtConfigure(...)

Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.

question(*args, **kwargs)

Shows a popup question message box. For parameter documentation see messagebox.QuestionMessageBox.

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

repaint(self)

repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)

reportValidation(results)

Present validation messages to the user. This is an implmentation of the ValidationMixin interface and does not need to be called directly.

This method assumes that error and question methods have been defined in the subclass, as in e.g. widget_mixins.MessageBoxMixin.

Parameters:results (validation.ValidationResults) – Set of validation results generated by validate
Returns:if True, there were no validation errors and the user decided to continue despite any warnings. If False, there was at least one validation error or the user decided to abort when faced with a warning.
resetMappedParams()
resize(self, QSize)

resize(self, int, int)

resizeEvent(self, QResizeEvent)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
run(blocking=False, modal=False, finished_callback=None)

Show this widget, while optionally blocking, making the widget window modal, and registering a callback for when the widget is closed again.

Parameters:
  • blocking (bool) – if True, block progress in the calling method until the widget is closed again.
  • modal (bool) – if True, open this widget as window modal. Otherwise, open this widget as nonmodal.
  • finished_callback (a callable object) – an object that will be called with no arguments when this widget is closed.
runAllSlots()
runValidation(silent=False, validate_children=True, stop_on_fail=True)

Runs validation and reports the results (unless run silently).

Parameters:
  • silent (bool) – run without any reporting (i.e. error messages to the user). This is useful if we want to programmatically test validity. Changes return value of this method from ValidationResults to a boolean.
  • validate_children (bool) – run validation on all child objects. See _validateChildren for documentation on what this entails.
  • stop_on_fail (bool) – stop validation when first failure is encountered
Returns:

if silent is False, returns the validation results. If silent is True, returns a boolean generated by reportValidation.

Return type:

ValidationResults or bool

saveGeometry(self) → QByteArray
scroll(self, int, int)

scroll(self, int, int, QRect)

sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
setBaseSize(self, int, int)

setBaseSize(self, QSize)

setContentsMargins(self, int, int, int, int)

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDefaults()

@overrides: af2.App

setDisabled(self, bool)
setEnabled(self, bool)
setFixedHeight(self, int)
setFixedSize(self, QSize)

setFixedSize(self, int, int)

setFixedWidth(self, int)
setFocus(self)

setFocus(self, Qt.FocusReason)

setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setGeometry(self, QRect)

setGeometry(self, int, int, int, int)

setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLocale(self, QLocale)
setMask(self, QBitmap)

setMask(self, QRegion)

setMaximumHeight(self, int)
setMaximumSize(self, int, int)

setMaximumSize(self, QSize)

setMaximumWidth(self, int)
setMinimumHeight(self, int)
setMinimumSize(self, int, int)

setMinimumSize(self, QSize)

setMinimumWidth(self, int)
setModel(model)

Sets the model object for the mapper. Disconnects the old model, if one is set, and connects the new model. Pass in None to have no model set.

Parameters:model – the model instance or None
setModelWithoutSlots(model)

This is called when this MapperMixin is a sub-widget of a parent MapperMixin. Since the slots will all be called at the end of the parent setModel, they shouldn’t be called during the sub-widget’s setModel.

setMouseTracking(self, bool)
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)

setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])

setProperty(self, str, Any) → bool
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setSizeIncrement(self, int, int)

setSizeIncrement(self, QSize)

setSizePolicy(self, QSizePolicy)

setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)

setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setVisible(set_visible)
setWhatsThis(self, str)
setWidgetLayout()

Set the widget layout

setWindowFilePath(self, str)
setWindowFlag(self, Qt.WindowType, on: bool = True)
setWindowFlags(flags=None)
setWindowFlagsForRun()
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
setting_model()
sharedPainter(self) → QPainter
show()

Override the show method to clear and previous value of self.accepted

showEvent(self, QShowEvent)
showFullScreen(self)
showMaximized(self)
showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
sshowMessageBox(*args, **kwargs)

Shows a popup message box. For parameter documentation see messagebox.MessageBox.

stackUnder(self, QWidget)
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = -1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)

update(self, QRect) update(self, QRegion) update(self, int, int, int, int)

updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
warning(*args, **kwargs)

Shows a popup warning message box. For parameter documentation see messagebox.MessageBox.

whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

windowModality(self) → Qt.WindowModality
windowOpacity(self) → float
windowRole(self) → str
windowState(self) → Qt.WindowStates
windowTitle(self) → str
windowTitleChanged

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.application.jaguar.gui.input_tab_widgets_pka.SmartsSelector(parent)

Bases: schrodinger.ui.qt.pop_up_widgets.PopUp, schrodinger.ui.qt.basewidgets.BaseWidget

A popup widget that allows users to specify any number of SMARTS strings to specify pka atoms as well as an atom position which specifies the atom in the SMARTS

closed
ui_module = <module 'schrodinger.application.jaguar.gui.ui.define_smarts_panel_ui' from '/scr/buildbot/savedbuilds/2020-2/NB/build-063/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/define_smarts_panel_ui.py'>
setup()

Needs to be implemented for PopUp widgets

initSetUp()

Creates widget from ui and stores it ui_widget.

Suggested subclass use: create and initialize subwidgets, and connect signals.

addPage()

Add an additional page for specifying SMARTS

removeCurrentPage()

Remove the current page. If there was only one page before removing, add another after so there is always one page.

next()

Show next page of stacked widget

back()

Show previous page of stacked widget

updatePagination()

Enable or disable forward and back button based on current page index and number of pages and update label indicating current page

getModels()

Get the models for the Smarts Pages

Returns:A list of the models
Return type:list(SmartsPageModel)
closeEvent(self, QCloseEvent)
Box = 1
class BtnPos

Bases: enum.IntEnum

An enumeration.

Left = 0
Middle = 1
Right = 2
DrawChildren = 2
DrawWindowBackground = 1
HLine = 4
IgnoreMask = 4
NoFrame = 0
class PaintDeviceMetric

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1d30028>
Panel = 2
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
Plain = 16
Raised = 32
class RenderFlag

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2847968>
class RenderFlags

Bases: sip.simplewrapper

QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)

__init__

Initialize self. See help(type(self)) for accurate signature.

SHOW_AS_WINDOW = False
class Shadow

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x4ab1d78>
Shadow_Mask = 240
class Shape

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x4ab2128>
Shape_Mask = 15
class StdBtn

Bases: enum.IntEnum

An enumeration.

Cancel = 1
Help = 3
Ok = 0
Reset = 2
class StyleMask

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x4ab24d8>
StyledPanel = 6
Sunken = 48
VLine = 5
WinPanel = 3
__init__(parent)

Initialize self. See help(type(self)) for accurate signature.

acceptDrops(self) → bool
accepted
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, QAction)
addActions(self, Iterable[QAction])
adjustSize(self)
autoFillBackground(self) → bool
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
changeEvent(self, QEvent)
childAt(self, QPoint) → QWidget

childAt(self, int, int) -> QWidget

childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
close(self) → bool
colorCount(self) → int
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
dataChanged
debug()
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

destroyed(self, object: QObject = None) [signal]

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(self)
disconnectNotify(self, QMetaMethod)
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
drawFrame(self, QPainter)
dropEvent(self, QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
error(*args, **kwargs)

Shows a popup error message box. For parameter documentation see messagebox.MessageBox.

estimateMaxHeight()

Return an estimate of the maximum allowable height of this pop up. This estimate is used to ensure that the pop up is positioned within the window. The default implementation uses the current size hint. Subclasses can reimplement this function if they can calculate a more accurate allowable height. This is typically only applicable if the pop up is likely to change size.

Returns:The maximum allowable height
Return type:int
estimateMaxWidth()

Return an estimate of the maximum allowable width of this pop up. This estimate is used to ensure that the pop up is positioned within the window. The default implementation uses the current size hint. Subclasses can reimplement this function if they can calculate a more accurate allowable width. This is typically only applicable if the pop up is likely to change size.

Returns:The maximum allowable width
Return type:int
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
forgetMessageBoxResponse(key)

Forgets any previously saved response that was stored via a save_response_key.

Parameters:key – the key for the response to forget
frameGeometry(self) → QRect
frameRect(self) → QRect
frameShadow(self) → QFrame.Shadow
frameShape(self) → QFrame.Shape
frameSize(self) → QSize
frameStyle(self) → int
frameWidth(self) → int
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)

grabMouse(self, Union[QCursor, Qt.CursorShape])

grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(event)

Emit a signal every time this pop up is hidden.

info(*args, **kwargs)

Shows a popup information message box. For parameter documentation see messagebox.MessageBox.

inherits(self, str) → bool
initFinalize()

Suggested subclass use: perform any remaining initialization.

initLayOut()
initPainter(self, QPainter)
initSetDefaults()

Set widget to its default state. If the widget uses a model/mapper, it’s preferable to reset the widget state by resetting the model.

initSetOptions()

Suggested subclass use: set instance variables, excluding layouts and subwidgets.

initStyleOption(self, QStyleOptionFrame)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHints
inputMethodQuery(self, Qt.InputMethodQuery) → Any
insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
installPopUpEventFilter(event_filter)

Install the provided event filter on all widgets within this pop up that can receive focus.

Note:This function only installs the event filter on immediate children of this widget. As a result, keyboard events on grandchildren (or later descendant) widgets will not be handled properly. If this causes issues, the implementation will have to be modified.
Parameters:event_filter (_BasisSelectorPopUpEventFilter) – The event filter to install
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
lineEditUpdated(text)

Update this pop up in response to the user changing the line edit text. Note that, by default, this widget will not be able to send signals during execution of this method. This prevents an infinite loop of PopUp.lineEditUpdated and LineEditWithPopUp.popUpUpdated. To modify this behavior, subclass LineEditWithPopUp and reimplement LineEditWithPopUp.popUpUpdated.

Parameters:text (str) – The current text of the line edit
lineWidth(self) → int
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, QWidget, QPoint) → QPoint
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
midLineWidth(self) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)

move(self, int, int)

moveEvent(self, QMoveEvent)
moveToThread(self, QThread)
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
popUpResized
pos(self) → QPoint
previousInFocusChain(self) → QWidget
property(self, str) → Any
pyqtConfigure(...)

Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.

question(*args, **kwargs)

Shows a popup question message box. For parameter documentation see messagebox.QuestionMessageBox.

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

repaint(self)

repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)

reportValidation(results)

Present validation messages to the user. This is an implmentation of the ValidationMixin interface and does not need to be called directly.

This method assumes that error and question methods have been defined in the subclass, as in e.g. widget_mixins.MessageBoxMixin.

Parameters:results (validation.ValidationResults) – Set of validation results generated by validate
Returns:if True, there were no validation errors and the user decided to continue despite any warnings. If False, there was at least one validation error or the user decided to abort when faced with a warning.
resize(self, QSize)

resize(self, int, int)

resizeEvent(self, QResizeEvent)
restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
run(blocking=False, modal=False, finished_callback=None)

Show this widget, while optionally blocking, making the widget window modal, and registering a callback for when the widget is closed again.

Parameters:
  • blocking (bool) – if True, block progress in the calling method until the widget is closed again.
  • modal (bool) – if True, open this widget as window modal. Otherwise, open this widget as nonmodal.
  • finished_callback (a callable object) – an object that will be called with no arguments when this widget is closed.
runValidation(silent=False, validate_children=True, stop_on_fail=True)

Runs validation and reports the results (unless run silently).

Parameters:
  • silent (bool) – run without any reporting (i.e. error messages to the user). This is useful if we want to programmatically test validity. Changes return value of this method from ValidationResults to a boolean.
  • validate_children (bool) – run validation on all child objects. See _validateChildren for documentation on what this entails.
  • stop_on_fail (bool) – stop validation when first failure is encountered
Returns:

if silent is False, returns the validation results. If silent is True, returns a boolean generated by reportValidation.

Return type:

ValidationResults or bool

saveGeometry(self) → QByteArray
scroll(self, int, int)

scroll(self, int, int, QRect)

sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoFillBackground(self, bool)
setBackgroundRole(self, QPalette.ColorRole)
setBaseSize(self, int, int)

setBaseSize(self, QSize)

setContentsMargins(self, int, int, int, int)

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDisabled(self, bool)
setEnabled(self, bool)
setFixedHeight(self, int)
setFixedSize(self, QSize)

setFixedSize(self, int, int)

setFixedWidth(self, int)
setFocus(self)

setFocus(self, Qt.FocusReason)

setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setFrameRect(self, QRect)
setFrameShadow(self, QFrame.Shadow)
setFrameShape(self, QFrame.Shape)
setFrameStyle(self, int)
setGeometry(self, QRect)

setGeometry(self, int, int, int, int)

setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLineWidth(self, int)
setLocale(self, QLocale)
setMask(self, QBitmap)

setMask(self, QRegion)

setMaximumHeight(self, int)
setMaximumSize(self, int, int)

setMaximumSize(self, QSize)

setMaximumWidth(self, int)
setMidLineWidth(self, int)
setMinimumHeight(self, int)
setMinimumSize(self, int, int)

setMinimumSize(self, QSize)

setMinimumWidth(self, int)
setMouseTracking(self, bool)
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)

setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])

setProperty(self, str, Any) → bool
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setSizeIncrement(self, int, int)

setSizeIncrement(self, QSize)

setSizePolicy(self, QSizePolicy)

setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)

setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setVisible(set_visible)
setWhatsThis(self, str)
setWidgetLayout()

Set the widget layout

setWindowFilePath(self, str)
setWindowFlag(self, Qt.WindowType, on: bool = True)
setWindowFlags(flags=None)
setWindowFlagsForRun()
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
sharedPainter(self) → QPainter
show(self)
showEvent(event)

Emit a signal every time this pop up is shown.

showFullScreen(self)
showMaximized(self)
showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
sshowMessageBox(*args, **kwargs)

Shows a popup message box. For parameter documentation see messagebox.MessageBox.

stackUnder(self, QWidget)
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
subWidgetHasFocus()

Return True if any widget within the pop up has focus. False otherwise.

Note:Note that combo boxes have various list view and frame children that can receive focus (and which of these widgets can receive focus varies by OS). As a result, we check the full ancestry of the focus widget here rather than just checking it’s parent. Also note that we can’t use Qt’s isAncestorOf() function to check ancestry, since combo box drop downs are considered to be their own window and isAncestorOf() requires ancestors to be part of the same window.
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
thread(self) → QThread
timerEvent(self, QTimerEvent)
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = -1) → str
underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)

update(self, QRect) update(self, QRegion) update(self, int, int, int, int)

updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibilityChanged
visibleRegion(self) → QRegion
warning(*args, **kwargs)

Shows a popup warning message box. For parameter documentation see messagebox.MessageBox.

whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

windowModality(self) → Qt.WindowModality
windowOpacity(self) → float
windowRole(self) → str
windowState(self) → Qt.WindowStates
windowTitle(self) → str
windowTitleChanged

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.application.jaguar.gui.input_tab_widgets_pka.SmartsSelectorButton(parent)

Bases: schrodinger.ui.qt.pop_up_widgets.ToolButtonWithPopUp

A tool button that opens the Smarts Selector when pressed

__init__(parent)
Parameters:parent (PyQt5.QtWidgets.QWidget) – The Qt parent widget
getModels()

Get the list of models for each SMARTS page

Returns:The list of moels for each SMARTS page
Return type:list(SmartsPageModel)
showSmartsSelector()

Show the popup. This gets called by the input tab to manually show the popup

ALIGN_AUTO = 4
ALIGN_BOTTOM = 1
ALIGN_LEFT = 3
ALIGN_RIGHT = 2
ALIGN_TOP = 0
DelayedPopup = 0
DrawChildren = 2
DrawWindowBackground = 1
IgnoreMask = 4
InstantPopup = 2
MenuButtonPopup = 1
class PaintDeviceMetric

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x1d30028>
PdmDepth = 6
PdmDevicePixelRatio = 11
PdmDevicePixelRatioScaled = 12
PdmDpiX = 7
PdmDpiY = 8
PdmHeight = 2
PdmHeightMM = 4
PdmNumColors = 5
PdmPhysicalDpiX = 9
PdmPhysicalDpiY = 10
PdmWidth = 1
PdmWidthMM = 3
class RenderFlag

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2847968>
class RenderFlags

Bases: sip.simplewrapper

QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)

__init__

Initialize self. See help(type(self)) for accurate signature.

class ToolButtonPopupMode

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x2843188>
acceptDrops(self) → bool
accessibleDescription(self) → str
accessibleName(self) → str
actionEvent(self, QActionEvent)
actions(self) → List[QAction]
activateWindow(self)
addAction(self, QAction)
addActions(self, Iterable[QAction])
adjustSize(self)
animateClick(self, msecs: int = 100)
arrowType(self) → Qt.ArrowType
autoExclusive(self) → bool
autoFillBackground(self) → bool
autoRaise(self) → bool
autoRepeat(self) → bool
autoRepeatDelay(self) → int
autoRepeatInterval(self) → int
backgroundRole(self) → QPalette.ColorRole
baseSize(self) → QSize
blockSignals(self, bool) → bool
changeEvent(self, QEvent)
checkStateSet(self)
childAt(self, QPoint) → QWidget

childAt(self, int, int) -> QWidget

childEvent(self, QChildEvent)
children(self) → List[QObject]
childrenRect(self) → QRect
childrenRegion(self) → QRegion
clearFocus(self)
clearMask(self)
click(self)
clicked

clicked(self, checked: bool = False) [signal]

close(self) → bool
closeEvent(self, QCloseEvent)
colorCount(self) → int
connectNotify(self, QMetaMethod)
contentsMargins(self) → QMargins
contentsRect(self) → QRect
contextMenuEvent(self, QContextMenuEvent)
contextMenuPolicy(self) → Qt.ContextMenuPolicy
create(self, window: sip.voidptr = 0, initializeWindow: bool = True, destroyOldWindow: bool = True)
createWindowContainer(QWindow, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = 0) → QWidget
cursor(self) → QCursor
customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)
defaultAction(self) → QAction
deleteLater(self)
depth(self) → int
destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)
destroyed

destroyed(self, object: QObject = None) [signal]

devType(self) → int
devicePixelRatio(self) → int
devicePixelRatioF(self) → float
devicePixelRatioFScale() → float
disconnect(self)
disconnectNotify(self, QMetaMethod)
dragEnterEvent(self, QDragEnterEvent)
dragLeaveEvent(self, QDragLeaveEvent)
dragMoveEvent(self, QDragMoveEvent)
dropEvent(self, QDropEvent)
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
effectiveWinId(self) → sip.voidptr
ensurePolished(self)
enterEvent(self, QEvent)
event(self, QEvent) → bool
eventFilter(self, QObject, QEvent) → bool
find(sip.voidptr) → QWidget
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

focusInEvent(self, QFocusEvent)
focusNextChild(self) → bool
focusNextPrevChild(self, bool) → bool
focusOutEvent(self, QFocusEvent)
focusPolicy(self) → Qt.FocusPolicy
focusPreviousChild(self) → bool
focusProxy(self) → QWidget
focusWidget(self) → QWidget
font(self) → QFont
fontInfo(self) → QFontInfo
fontMetrics(self) → QFontMetrics
foregroundRole(self) → QPalette.ColorRole
frameGeometry(self) → QRect
frameSize(self) → QSize
geometry(self) → QRect
getContentsMargins(self) → Tuple[int, int, int, int]
grab(self, rectangle: QRect = QRect(QPoint(0, 0), QSize(-1, -1))) → QPixmap
grabGesture(self, Qt.GestureType, flags: Union[Qt.GestureFlags, Qt.GestureFlag] = Qt.GestureFlags())
grabKeyboard(self)
grabMouse(self)

grabMouse(self, Union[QCursor, Qt.CursorShape])

grabShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int], context: Qt.ShortcutContext = Qt.WindowShortcut) → int
graphicsEffect(self) → QGraphicsEffect
graphicsProxyWidget(self) → QGraphicsProxyWidget
group(self) → QButtonGroup
hasFocus(self) → bool
hasHeightForWidth(self) → bool
hasMouseTracking(self) → bool
hasTabletTracking(self) → bool
height(self) → int
heightForWidth(self, int) → int
heightMM(self) → int
hide(self)
hideEvent(self, QHideEvent)
hitButton(self, QPoint) → bool
icon(self) → QIcon
iconSize(self) → QSize
inherits(self, str) → bool
initPainter(self, QPainter)
initStyleOption(self, QStyleOptionToolButton)
inputMethodEvent(self, QInputMethodEvent)
inputMethodHints(self) → Qt.InputMethodHints
inputMethodQuery(self, Qt.InputMethodQuery) → Any
insertAction(self, QAction, QAction)
insertActions(self, QAction, Iterable[QAction])
installEventFilter(self, QObject)
isActiveWindow(self) → bool
isAncestorOf(self, QWidget) → bool
isCheckable(self) → bool
isChecked(self) → bool
isDown(self) → bool
isEnabled(self) → bool
isEnabledTo(self, QWidget) → bool
isFullScreen(self) → bool
isHidden(self) → bool
isLeftToRight(self) → bool
isMaximized(self) → bool
isMinimized(self) → bool
isModal(self) → bool
isRightToLeft(self) → bool
isSignalConnected(self, QMetaMethod) → bool
isVisible(self) → bool
isVisibleTo(self, QWidget) → bool
isWidgetType(self) → bool
isWindow(self) → bool
isWindowModified(self) → bool
isWindowType(self) → bool
keyPressEvent(self, QKeyEvent)
keyReleaseEvent(self, QKeyEvent)
keyboardGrabber() → QWidget
killTimer(self, int)
layout(self) → QLayout
layoutDirection(self) → Qt.LayoutDirection
leaveEvent(self, QEvent)
locale(self) → QLocale
logicalDpiX(self) → int
logicalDpiY(self) → int
lower(self)
mapFrom(self, QWidget, QPoint) → QPoint
mapFromGlobal(self, QPoint) → QPoint
mapFromParent(self, QPoint) → QPoint
mapTo(self, QWidget, QPoint) → QPoint
mapToGlobal(self, QPoint) → QPoint
mapToParent(self, QPoint) → QPoint
mask(self) → QRegion
maximumHeight(self) → int
maximumSize(self) → QSize
maximumWidth(self) → int
menu(self) → QMenu
metaObject(self) → QMetaObject
metric(self, QPaintDevice.PaintDeviceMetric) → int
minimumHeight(self) → int
minimumSize(self) → QSize
minimumSizeHint(self) → QSize
minimumWidth(self) → int
mouseDoubleClickEvent(self, QMouseEvent)
mouseGrabber() → QWidget
mouseMoveEvent(self, QMouseEvent)
mousePressEvent(self, QMouseEvent)
mouseReleaseEvent(self, QMouseEvent)
move(self, QPoint)

move(self, int, int)

moveEvent(event)

Update the pop up position and size when the widget is moved

moveToThread(self, QThread)
nativeEvent(self, Union[QByteArray, bytes, bytearray], sip.voidptr) → Tuple[bool, int]
nativeParentWidget(self) → QWidget
nextCheckState(self)
nextInFocusChain(self) → QWidget
normalGeometry(self) → QRect
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

onClicked()

If the button is clicked, toggle the check state of the button, which should toggle the visibility of the pop up.

overrideWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
overrideWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
paintEngine(self) → QPaintEngine
paintEvent(self, QPaintEvent)
paintingActive(self) → bool
palette(self) → QPalette
parent(self) → QObject
parentWidget(self) → QWidget
physicalDpiX(self) → int
physicalDpiY(self) → int
popUpClosing
popUpUpdated(text)

Whenever the pop up emits the dataChanged signal, update the widget. This function should be implemented in subclasses if required.

Parameters:text (str) – The text emitted with the dataChanged signal
pop_up_visible
Returns:whether the pop up frame is visible to its parent
Return type:bool
popupMode(self) → QToolButton.ToolButtonPopupMode
pos(self) → QPoint
pressed

pressed(self) [signal]

previousInFocusChain(self) → QWidget
property(self, str) → Any
pyqtConfigure(...)

Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.

raise_(self)
receivers(self, PYQT_SIGNAL) → int
rect(self) → QRect
releaseKeyboard(self)
releaseMouse(self)
releaseShortcut(self, int)
released

released(self) [signal]

removeAction(self, QAction)
removeEventFilter(self, QObject)
render(self, QPaintDevice, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

render(self, QPainter, targetOffset: QPoint = QPoint(), sourceRegion: QRegion = QRegion(), flags: Union[QWidget.RenderFlags, QWidget.RenderFlag] = QWidget.RenderFlags(QWidget.DrawWindowBackground|QWidget.DrawChildren))

repaint(self)

repaint(self, int, int, int, int) repaint(self, QRect) repaint(self, QRegion)

resize(self, QSize)

resize(self, int, int)

resizeEvent(event)

Update the pop up position and size when the widget is resized

restoreGeometry(self, Union[QByteArray, bytes, bytearray]) → bool
saveGeometry(self) → QByteArray
scroll(self, int, int)

scroll(self, int, int, QRect)

sender(self) → QObject
senderSignalIndex(self) → int
setAcceptDrops(self, bool)
setAccessibleDescription(self, str)
setAccessibleName(self, str)
setArrowType(self, Qt.ArrowType)
setAttribute(self, Qt.WidgetAttribute, on: bool = True)
setAutoExclusive(self, bool)
setAutoFillBackground(self, bool)
setAutoRaise(self, bool)
setAutoRepeat(self, bool)
setAutoRepeatDelay(self, int)
setAutoRepeatInterval(self, int)
setBackgroundRole(self, QPalette.ColorRole)
setBaseSize(self, int, int)

setBaseSize(self, QSize)

setCheckable(self, bool)
setChecked(checked)

Set the button check state, and also alter the pop up visibility. Note that the button should be checked if and only if the pop up is visible, and that changing the visibility of the pop up (e.g. by clicking the button) will also change the check state. :param checked: whether the button should be checked :type checked: bool

setContentsMargins(self, int, int, int, int)

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)
setCursor(self, Union[QCursor, Qt.CursorShape])
setDefaultAction(self, QAction)
setDisabled(self, bool)
setDown(self, bool)
setEnabled(self, bool)
setFixedHeight(self, int)
setFixedSize(self, QSize)

setFixedSize(self, int, int)

setFixedWidth(self, int)
setFocus(self)

setFocus(self, Qt.FocusReason)

setFocusPolicy(self, Qt.FocusPolicy)
setFocusProxy(self, QWidget)
setFont(self, QFont)
setForegroundRole(self, QPalette.ColorRole)
setGeometry(self, QRect)

setGeometry(self, int, int, int, int)

setGraphicsEffect(self, QGraphicsEffect)
setHidden(self, bool)
setIcon(self, QIcon)
setIconSize(self, QSize)
setInputMethodHints(self, Union[Qt.InputMethodHints, Qt.InputMethodHint])
setLayout(self, QLayout)
setLayoutDirection(self, Qt.LayoutDirection)
setLocale(self, QLocale)
setMask(self, QBitmap)

setMask(self, QRegion)

setMaximumHeight(self, int)
setMaximumSize(self, int, int)

setMaximumSize(self, QSize)

setMaximumWidth(self, int)
setMenu(self, QMenu)
setMinimumHeight(self, int)
setMinimumSize(self, int, int)

setMinimumSize(self, QSize)

setMinimumWidth(self, int)
setMouseTracking(self, bool)
setObjectName(self, str)
setPalette(self, QPalette)
setParent(self, QWidget)

setParent(self, QWidget, Union[Qt.WindowFlags, Qt.WindowType])

setPopUp(pop_up)

Set the pop up widget to the specified pop up widget instance.

setPopUpClass(pop_up_class)

If a pop up class was not specified via the constructor, use this method to set it after the fact. Useful for placing widgets into *.ui files.

setPopupHalign(popup_halign)

Specify whether the pop up should have its right edge aligned with the right edge of the widget (ALIGN_RIGHT), have its left edge aligned with the left edge of the widget (ALIGN_LEFT), or have it’s horizontal alignment determined automatically (ALIGN_AUTO). Note that this setting is moot if the widget is wider than the pop up’s size hint, as the pop up will be extended to the same width as the widget.

Parameters:popup_halign (int) – The desired horizontal alignment of the pop up. Must be one of ALIGN_RIGHT, ALIGN_LEFT, or ALIGN_AUTO.
setPopupMode(self, QToolButton.ToolButtonPopupMode)
setPopupValign(popup_valign)

Specify whether the pop up should appear above (ALIGN_TOP), below (ALIGN_BOTTOM) the widget, or have it’s vertical alignment determined automatically (ALIGN_AUTO).

Parameters:popup_valign (int) – The desired vertical alignment of the pop up. Must be either ALIGN_TOP, ALIGN_BOTTOM, or ALIGN_AUTO.
setProperty(self, str, Any) → bool
setShortcut(self, Union[QKeySequence, QKeySequence.StandardKey, str, int])
setShortcutAutoRepeat(self, int, enabled: bool = True)
setShortcutEnabled(self, int, enabled: bool = True)
setSizeIncrement(self, int, int)

setSizeIncrement(self, QSize)

setSizePolicy(self, QSizePolicy)

setSizePolicy(self, QSizePolicy.Policy, QSizePolicy.Policy)

setStatusTip(self, str)
setStyle(self, QStyle)
setStyleSheet(self, str)
setTabOrder(QWidget, QWidget)
setTabletTracking(self, bool)
setText(self, str)
setToolButtonStyle(self, Qt.ToolButtonStyle)
setToolTip(self, str)
setToolTipDuration(self, int)
setUpdatesEnabled(self, bool)
setVisible(self, bool)
setWhatsThis(self, str)
setWindowFilePath(self, str)
setWindowFlag(self, Qt.WindowType, on: bool = True)
setWindowFlags(self, Union[Qt.WindowFlags, Qt.WindowType])
setWindowIcon(self, QIcon)
setWindowIconText(self, str)
setWindowModality(self, Qt.WindowModality)
setWindowModified(self, bool)
setWindowOpacity(self, float)
setWindowRole(self, str)
setWindowState(self, Union[Qt.WindowStates, Qt.WindowState])
setWindowTitle(self, str)
sharedPainter(self) → QPainter
shortcut(self) → QKeySequence
show(self)
showEvent(self, QShowEvent)
showFullScreen(self)
showMaximized(self)
showMenu(self)
showMinimized(self)
showNormal(self)
signalsBlocked(self) → bool
size(self) → QSize
sizeHint(self) → QSize
sizeIncrement(self) → QSize
sizePolicy(self) → QSizePolicy
stackUnder(self, QWidget)
startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
statusTip(self) → str
style(self) → QStyle
styleSheet(self) → str
tabletEvent(self, QTabletEvent)
testAttribute(self, Qt.WidgetAttribute) → bool
text(self) → str
thread(self) → QThread
timerEvent(self, QTimerEvent)
toggle(self)
toggled

toggled(self, bool) [signal]

toolButtonStyle(self) → Qt.ToolButtonStyle
toolTip(self) → str
toolTipDuration(self) → int
tr(self, str, disambiguation: str = None, n: int = -1) → str
triggered

triggered(self, QAction) [signal]

underMouse(self) → bool
ungrabGesture(self, Qt.GestureType)
unsetCursor(self)
unsetLayoutDirection(self)
unsetLocale(self)
update(self)

update(self, QRect) update(self, QRegion) update(self, int, int, int, int)

updateGeometry(self)
updateMicroFocus(self)
updatesEnabled(self) → bool
visibleRegion(self) → QRegion
whatsThis(self) → str
wheelEvent(self, QWheelEvent)
width(self) → int
widthMM(self) → int
winId(self) → sip.voidptr
window(self) → QWidget
windowFilePath(self) → str
windowFlags(self) → Qt.WindowFlags
windowHandle(self) → QWindow
windowIcon(self) → QIcon
windowIconChanged

windowIconChanged(self, QIcon) [signal]

windowIconText(self) → str
windowIconTextChanged

windowIconTextChanged(self, str) [signal]

windowModality(self) → Qt.WindowModality
windowOpacity(self) → float
windowRole(self) → str
windowState(self) → Qt.WindowStates
windowTitle(self) → str
windowTitleChanged

windowTitleChanged(self, str) [signal]

windowType(self) → Qt.WindowType
x(self) → int
y(self) → int
class schrodinger.application.jaguar.gui.input_tab_widgets_pka.AtomSelectionDelegate(parent)

Bases: schrodinger.application.jaguar.gui.input_tab_widgets.CommitMultipleDelegate, schrodinger.ui.qt.delegates.DefaultMessageDelegate

A delegate for selecting a pKa atom. The atom name can either be typed into the line edit or selected from the workspace. A tool tip containing instructions will appear when the editor is first open and any time the user hovers their mouse over the editor. If the user clicks on an atom from the wrong structure, the atom will be ignored and a tool tip warning will appear. Clicking on an atom does not close the editor so that the user can immediately pick a different atom if desired.

Variables:set_pka_marker (PyQt5.QtCore.pyqtSignal) –

A signal emitted when a new pKa atom should be marked in the workspace. Emitted with two arguments:

MAESTRO_STATUS_MESSAGE = 'Pick an atom to be treated as the pKa atom'
TOOL_TIP_INSTRUCTIONS = 'Click an atom in the workspace to\nset it as the pKa atom or type the\natom name here.'
TOOL_TIP_WRONG_EID = 'The atom you selected is not\npart of this structure.'
set_pka_marker
__init__(parent)

Initialize self. See help(type(self)) for accurate signature.

createEditor(self, QWidget, QStyleOptionViewItem, QModelIndex) → QWidget
setEditorData(self, QWidget, QModelIndex)
setModelData(self, QWidget, QAbstractItemModel, QModelIndex)
eventFilter(editor, event)

Make sure that the editor doesn’t close when the user clicks on another window since that will prevent the user from being able to click on an atom.

Parameters:
  • editor (PyQt5.QtWidgets.QWidget) – The pKa atom line edit
  • event – A Qt event
  • eventPyQt5.QtCore.QEvent
Note:

We don’t need to worry about the case where the user clicks on a different widget in the pKa panel after selecting an atom. Since the editor was the last widget with focus in the pKa panel, it will receive another FocusOut event when the other widget receives focus, and that FocusOut event will cause the editor to close.

EditNextItem = 1
EditPreviousItem = 2
class EndEditHint

Bases: int

__init__ = <method-wrapper '__init__' of sip.enumtype object at 0x219a9e8>
FONT = <PyQt5.QtGui.QFont object>
FOREGROUND = <PyQt5.QtGui.QBrush object>
NoHint = 0
RevertModelCache = 4
SubmitModelCache = 3
blockSignals(self, bool) → bool
childEvent(self, QChildEvent)
children(self) → List[QObject]
closeEditor

closeEditor(self, QWidget, hint: QAbstractItemDelegate.EndEditHint = QAbstractItemDelegate.NoHint) [signal]

commitData

commitData(self, QWidget) [signal]

commitDataToSelected
connectNotify(self, QMetaMethod)
customEvent(self, QEvent)
deleteLater(self)
destroyEditor(self, QWidget, QModelIndex)
destroyed

destroyed(self, object: QObject = None) [signal]

disconnect(self)
disconnectNotify(self, QMetaMethod)
displayText(self, Any, QLocale) → str
dumpObjectInfo(self)
dumpObjectTree(self)
dynamicPropertyNames(self) → List[QByteArray]
editorEvent(self, QEvent, QAbstractItemModel, QStyleOptionViewItem, QModelIndex) → bool
event(self, QEvent) → bool
findChild(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject

findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject

findChildren(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]

findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]

helpEvent(self, QHelpEvent, QAbstractItemView, QStyleOptionViewItem, QModelIndex) → bool
inherits(self, str) → bool
initStyleOption(self, QStyleOptionViewItem, QModelIndex)
installEventFilter(self, QObject)
isSignalConnected(self, QMetaMethod) → bool
isWidgetType(self) → bool
isWindowType(self) → bool
itemEditorFactory(self) → QItemEditorFactory
killTimer(self, int)
metaObject(self) → QMetaObject
moveToThread(self, QThread)
objectName(self) → str
objectNameChanged

objectNameChanged(self, str) [signal]

paint(painter, option, index)

If the DisplayRole data for index is empty, paint the default message instead.

See Qt documentation for an explanation of arguments.

parent(self) → QObject
property(self, str) → Any
pyqtConfigure(...)

Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.

receivers(self, PYQT_SIGNAL) → int
removeEventFilter(self, QObject)
sender(self) → QObject
senderSignalIndex(self) → int
setItemEditorFactory(self, QItemEditorFactory)
setObjectName(self, str)
setParent(self, QObject)
setProperty(self, str, Any) → bool
signalsBlocked(self) → bool
sizeHint(self, QStyleOptionViewItem, QModelIndex) → QSize
sizeHintChanged

sizeHintChanged(self, QModelIndex) [signal]

startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int
staticMetaObject = <PyQt5.QtCore.QMetaObject object>
thread(self) → QThread
timerEvent(self, QTimerEvent)
tr(self, str, disambiguation: str = None, n: int = -1) → str
updateEditorGeometry(self, QWidget, QStyleOptionViewItem, QModelIndex)