schrodinger.application.matsci.clusterstructgui module

GUI elements to aid in pulling dimers or clusters of nearest neighbors from a larger structure.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.matsci.clusterstructgui.MonomerSpeciesSelector(label='Limit active molecules to those of type:', command=None, **kwargs)

Bases: schrodinger.ui.qt.swidgets.SCheckBoxWithSubWidget

Checkbox and combo that allows the user to select a species. The enabled state of the combobox is controlled by the checkbox.

species_changed

__init__(label='Limit active molecules to those of type:', command=None, **kwargs)

Create a Monomer SpeciesSelector instance

Parameters:

• label (str) – The text between the checkbox and combobox
• command (callable) – The slot to connect to the species_changed signal

All other keyword args are passed to the SCheckBoxWithSubWidget class

createSubWidgets()

Create the subwidgets the checkbox controls

For this class, it is only the species type combobox

currentSpecies()

Return the currently selected species

Return type:schrodinger.application.matsci.clusterstruct.SpeciesData Returns:The currently selected species

speciesChanged()

React to a new species being selected

hasSpecies()

Check if any species have been loaded

Return type:bool Returns:True of any species has been loaded, False if not

clear()

Clear out the species combo

loadSpecies(structs)

Find all the species in the given structures and load them into the species type combobox

Parameters:structs (list of schrodinger.structure.Structure) – The structures to find the species in Return type:list of schrodinger.application.matsci.clusterstruct.SpeciesData Returns:Each item of the list is the data for a species found

setCurrentSpecies(species)

Fill the species combo with the list of current species

Parameters:species (dict) – Keys are unique SMILES strings, values are SpeciesData objects for the species with that SMILES string.

reset()

Reset the widget, including clearing the species type combo

getNumberOfType()

Get the number of members of the current species

Return type:int Returns:The number of members of the current species

DrawChildren = 2

DrawWindowBackground = 1

IgnoreMask = 4

class PaintDeviceMetric

Bases: int

__abs__

abs(self)

__add__

Return self+value.

__and__

Return self&value.

__bool__

self != 0

__ceil__()

Ceiling of an Integral returns itself.

__class__

alias of sip.enumtype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'PyQt5.QtGui', '__dict__': <attribute '__dict__' of 'PaintDeviceMetric' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'PaintDeviceMetric' objects>})

__dir__() → list

default dir() implementation

__divmod__

Return divmod(self, value).

__eq__

Return self==value.

__float__

float(self)

__floor__()

Flooring an Integral returns itself.

__floordiv__

Return self//value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__getnewargs__()

__gt__

Return self>value.

__hash__

Return hash(self).

__index__

Return self converted to an integer, if self is suitable for use as an index into a list.

__init__

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

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__int__

int(self)

__invert__

~self

__le__

Return self<=value.

__lshift__

Return self<<value.

__lt__

Return self<value.

__mod__

Return self%value.

__module__ = 'PyQt5.QtGui'

__mul__

Return self*value.

__ne__

Return self!=value.

__neg__

-self

__new__()

Create and return a new object. See help(type) for accurate signature.

__or__

Return self|value.

__pos__

+self

__pow__

Return pow(self, value, mod).

__radd__

Return value+self.

__rand__

Return value&self.

__rdivmod__

Return divmod(value, self).

__reduce__()

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__rfloordiv__

Return value//self.

__rlshift__

Return value<<self.

__rmod__

Return value%self.

__rmul__

Return value*self.

__ror__

Return value|self.

__round__()

Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.

__rpow__

Return pow(value, self, mod).

__rrshift__

Return value>>self.

__rshift__

Return self>>value.

__rsub__

Return value-self.

__rtruediv__

Return value/self.

__rxor__

Return value^self.

__setattr__

Implement setattr(self, name, value).

__sizeof__()

Returns size in memory, in bytes

__str__

Return str(self).

__sub__

Return self-value.

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__truediv__

Return self/value.

__trunc__()

Truncating an Integral returns itself.

__xor__

Return self^value.

bit_length() → int

Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6

conjugate()

Returns self, the complex conjugate of any int.

denominator

the denominator of a rational number in lowest terms

from_bytes(bytes, byteorder, *, signed=False) → int

Return the integer represented by the given array of bytes.

The bytes argument must be a bytes-like object (e.g. bytes or bytearray).

The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.

The signed keyword-only argument indicates whether two’s complement is used to represent the integer.

imag

the imaginary part of a complex number

numerator

the numerator of a rational number in lowest terms

real

the real part of a complex number

to_bytes(length, byteorder, *, signed=False) → bytes

Return an array of bytes representing an integer.

The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.

The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.

The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.

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

__abs__

abs(self)

__add__

Return self+value.

__and__

Return self&value.

__bool__

self != 0

__ceil__()

Ceiling of an Integral returns itself.

__class__

alias of sip.enumtype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'PyQt5.QtWidgets', '__or__': <slot wrapper '__or__' of 'RenderFlag' objects>, '__ror__': <slot wrapper '__ror__' of 'RenderFlag' objects>, '__dict__': <attribute '__dict__' of 'RenderFlag' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'RenderFlag' objects>})

__dir__() → list

default dir() implementation

__divmod__

Return divmod(self, value).

__eq__

Return self==value.

__float__

float(self)

__floor__()

Flooring an Integral returns itself.

__floordiv__

Return self//value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__getnewargs__()

__gt__

Return self>value.

__hash__

Return hash(self).

__index__

Return self converted to an integer, if self is suitable for use as an index into a list.

__init__

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

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__int__

int(self)

__invert__

~self

__le__

Return self<=value.

__lshift__

Return self<<value.

__lt__

Return self<value.

__mod__

Return self%value.

__module__ = 'PyQt5.QtWidgets'

__mul__

Return self*value.

__ne__

Return self!=value.

__neg__

-self

__new__()

Create and return a new object. See help(type) for accurate signature.

__or__

Return self|value.

__pos__

+self

__pow__

Return pow(self, value, mod).

__radd__

Return value+self.

__rand__

Return value&self.

__rdivmod__

Return divmod(value, self).

__reduce__()

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__rfloordiv__

Return value//self.

__rlshift__

Return value<<self.

__rmod__

Return value%self.

__rmul__

Return value*self.

__ror__

Return value|self.

__round__()

Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.

__rpow__

Return pow(value, self, mod).

__rrshift__

Return value>>self.

__rshift__

Return self>>value.

__rsub__

Return value-self.

__rtruediv__

Return value/self.

__rxor__

Return value^self.

__setattr__

Implement setattr(self, name, value).

__sizeof__()

Returns size in memory, in bytes

__str__

Return str(self).

__sub__

Return self-value.

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__truediv__

Return self/value.

__trunc__()

Truncating an Integral returns itself.

__xor__

Return self^value.

bit_length() → int

Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6

conjugate()

Returns self, the complex conjugate of any int.

denominator

the denominator of a rational number in lowest terms

from_bytes(bytes, byteorder, *, signed=False) → int

Return the integer represented by the given array of bytes.

The bytes argument must be a bytes-like object (e.g. bytes or bytearray).

The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.

The signed keyword-only argument indicates whether two’s complement is used to represent the integer.

imag

the imaginary part of a complex number

numerator

the numerator of a rational number in lowest terms

real

the real part of a complex number

to_bytes(length, byteorder, *, signed=False) → bytes

Return an array of bytes representing an integer.

The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.

The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.

The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.

class RenderFlags

Bases: sip.simplewrapper

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

__and__

Return self&value.

__bool__

self != 0

__class__

alias of sip.wrappertype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'PyQt5.QtWidgets', '__hash__': <slot wrapper '__hash__' of 'RenderFlags' objects>, '__lt__': <slot wrapper '__lt__' of 'RenderFlags' objects>, '__le__': <slot wrapper '__le__' of 'RenderFlags' objects>, '__eq__': <slot wrapper '__eq__' of 'RenderFlags' objects>, '__ne__': <slot wrapper '__ne__' of 'RenderFlags' objects>, '__gt__': <slot wrapper '__gt__' of 'RenderFlags' objects>, '__ge__': <slot wrapper '__ge__' of 'RenderFlags' objects>, '__bool__': <slot wrapper '__bool__' of 'RenderFlags' objects>, '__invert__': <slot wrapper '__invert__' of 'RenderFlags' objects>, '__and__': <slot wrapper '__and__' of 'RenderFlags' objects>, '__rand__': <slot wrapper '__rand__' of 'RenderFlags' objects>, '__xor__': <slot wrapper '__xor__' of 'RenderFlags' objects>, '__rxor__': <slot wrapper '__rxor__' of 'RenderFlags' objects>, '__or__': <slot wrapper '__or__' of 'RenderFlags' objects>, '__ror__': <slot wrapper '__ror__' of 'RenderFlags' objects>, '__int__': <slot wrapper '__int__' of 'RenderFlags' objects>, '__iand__': <slot wrapper '__iand__' of 'RenderFlags' objects>, '__ixor__': <slot wrapper '__ixor__' of 'RenderFlags' objects>, '__ior__': <slot wrapper '__ior__' of 'RenderFlags' objects>, '__weakref__': <attribute '__weakref__' of 'RenderFlags' objects>, '__doc__': 'QWidget.RenderFlags()\nQWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag])\nQWidget.RenderFlags(QWidget.RenderFlags)'})

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__iand__

Return self&=value.

__init__

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

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__int__

int(self)

__invert__

~self

__ior__

Return self|=value.

__ixor__

Return self^=value.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'PyQt5.QtWidgets'

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__or__

Return self|value.

__rand__

Return value&self.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__ror__

Return value|self.

__rxor__

Return value^self.

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__weakref__

list of weak references to the object (if defined)

__xor__

Return self^value.

__class__

alias of sip.wrappertype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.matsci.clusterstructgui', '__doc__': '\n Checkbox and combo that allows the user to select a species. The enabled\n state of the combobox is controlled by the checkbox.\n ', 'species_changed': <unbound PYQT_SIGNAL MonomerSpeciesSelector.species_changed[]>, '__init__': <function MonomerSpeciesSelector.__init__>, 'createSubWidgets': <function MonomerSpeciesSelector.createSubWidgets>, '_fixTypeComboSizing': <function MonomerSpeciesSelector._fixTypeComboSizing>, 'currentSpecies': <function MonomerSpeciesSelector.currentSpecies>, 'speciesChanged': <function MonomerSpeciesSelector.speciesChanged>, 'hasSpecies': <function MonomerSpeciesSelector.hasSpecies>, 'clear': <function MonomerSpeciesSelector.clear>, 'loadSpecies': <function MonomerSpeciesSelector.loadSpecies>, 'setCurrentSpecies': <function MonomerSpeciesSelector.setCurrentSpecies>, '_getExampleMolTag': <function MonomerSpeciesSelector._getExampleMolTag>, 'reset': <function MonomerSpeciesSelector.reset>, 'getNumberOfType': <function MonomerSpeciesSelector.getNumberOfType>})

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattr__(self, str) → object

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'schrodinger.application.matsci.clusterstructgui'

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__weakref__

list of weak references to the object (if defined)

acceptDrops(self) → bool

accessibleDescription(self) → str

accessibleName(self) → str

actionEvent(self, QActionEvent)

actions(self) → List[QAction]

activateWindow(self)

addAction(self, QAction)

addActions(self, object)

adjustSize(self)

animateClick(self, msecs: int = 100)

autoExclusive(self) → bool

autoFillBackground(self) → bool

autoRepeat(self) → bool

autoRepeatDelay(self) → int

autoRepeatInterval(self) → int

backgroundRole(self) → QPalette.ColorRole

baseSize(self) → QSize

blockSignals(self, bool) → bool

changeEvent(event)

Overrides the parent method to save & change the checkstate when the widget is enabled/disabled (if requested)

checkState(self) → Qt.CheckState

checkStateSet(self)

childAt(self, QPoint) → QWidget

childAt(self, int, int) -> QWidget

childEvent(self, QChildEvent)

children(self) → object

childrenRect(self) → QRect

childrenRegion(self) → QRegion

clearFocus(self)

clearMask(self)

click(self)

clicked

clicked(self, 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)

deleteLater(self)

depth(self) → int

destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)

destroyed

destroyed(self, 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) → object

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

forceSetChecked(state)

Change the checkstate of the widget even if it is disabled and we are controlling the checkstate of disabled widgets. Also sets this state to be the state when the widget re-enabled

Parameters:state (bool) – Whether the checkbox should be checked

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, QStyleOptionButton)

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

isTristate(self) → 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

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(self, QMoveEvent)

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]

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) [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(self, QResizeEvent)

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)

setAttribute(self, Qt.WidgetAttribute, on: bool = True)

setAutoExclusive(self, bool)

setAutoFillBackground(self, bool)

setAutoRepeat(self, bool)

setAutoRepeatDelay(self, int)

setAutoRepeatInterval(self, int)

setBackgroundRole(self, QPalette.ColorRole)

setBaseSize(self, int, int)

setBaseSize(self, QSize)

setCheckState(self, Qt.CheckState)

setCheckable(self, bool)

setChecked(state)

Overrides the parent method to not actually change the check state if the widget is disabled AND we’re controlling the checkstate of disabled widgets. In that case, we only store the desired state for when the widget is re-enabled.

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

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)

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

setDisabled(self, bool)

setDown(self, bool)

setEnabled(state)

Set both the checkbox and subwidget enabled/disabled

Parameters:state (bool) – The desired enabled state of both the checkbox and subwidget

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)

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

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)

setToolTip(self, str)

setToolTipDuration(self, int)

setTristate(self, on: bool = True)

setUpdatesEnabled(self, bool)

setVisible(state)

Set both the checkbox and subwidget visible

Parameters:state (bool) – The desired visible state of both the checkbox and subwidget

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)

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

stateChanged

stateChanged(self, int) [signal]

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]

toolTip(self) → str

toolTipDuration(self) → int

tr(self, str, disambiguation: str = None, n: int = -1) → str

trackAbleState()

Check whether we need to track the checkstate of this widget when it is enabled/disabled

Return type:bool Returns:Whether we should track the checkstate

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.matsci.clusterstructgui.DimerSpeciesSelector(label='Limit dimers to only those that contain:', command=None, **kwargs)

Bases: schrodinger.application.matsci.clusterstructgui.MonomerSpeciesSelector

Checkbox and combo that allows the user to select a species for the purpose of selecting dimers with or without the given species. The enabled state of the combobox is controlled by the checkbox.

criterion_changed

__init__(label='Limit dimers to only those that contain:', command=None, **kwargs)

Create a DimerSpeciesSelector instance

Parameters:

• label (str) – The text between the checkbox and combobox
• command (callable) – The slot to connect to the species_changed and criterion_changed signals

See parent class for additional documentation

createSubWidgets()

Create the subwidgets the checkbox controls

For this class, it is an amount criterion combobox and the species type combobox

currentCriterion()

Return the current amount criterion

Return type:str Returns:The desired amount of the species. Will be one of the items from the CRITERIA list

criterionChanged()

React to a change in the amount criterion

reset()

Reset the widgets

applyToDimers(dimers)

Apply the current settings to a list of dimers, marking them as meeting the criteria or not. If the controlling checkbox is unchecked, all dimers will be marked as meeting the criteria.

Parameters:dimers (list) – A list of Dimer objects. Each dimer will have its meets_species_criterion property set based on the results of the Dimer.evaluateSpeciesCriterion method.

DrawChildren = 2

DrawWindowBackground = 1

IgnoreMask = 4

class PaintDeviceMetric

Bases: int

__abs__

abs(self)

__add__

Return self+value.

__and__

Return self&value.

__bool__

self != 0

__ceil__()

Ceiling of an Integral returns itself.

__class__

alias of sip.enumtype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'PyQt5.QtGui', '__dict__': <attribute '__dict__' of 'PaintDeviceMetric' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'PaintDeviceMetric' objects>})

__dir__() → list

default dir() implementation

__divmod__

Return divmod(self, value).

__eq__

Return self==value.

__float__

float(self)

__floor__()

Flooring an Integral returns itself.

__floordiv__

Return self//value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__getnewargs__()

__gt__

Return self>value.

__hash__

Return hash(self).

__index__

Return self converted to an integer, if self is suitable for use as an index into a list.

__init__

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

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__int__

int(self)

__invert__

~self

__le__

Return self<=value.

__lshift__

Return self<<value.

__lt__

Return self<value.

__mod__

Return self%value.

__module__ = 'PyQt5.QtGui'

__mul__

Return self*value.

__ne__

Return self!=value.

__neg__

-self

__new__()

Create and return a new object. See help(type) for accurate signature.

__or__

Return self|value.

__pos__

+self

__pow__

Return pow(self, value, mod).

__radd__

Return value+self.

__rand__

Return value&self.

__rdivmod__

Return divmod(value, self).

__reduce__()

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__rfloordiv__

Return value//self.

__rlshift__

Return value<<self.

__rmod__

Return value%self.

__rmul__

Return value*self.

__ror__

Return value|self.

__round__()

Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.

__rpow__

Return pow(value, self, mod).

__rrshift__

Return value>>self.

__rshift__

Return self>>value.

__rsub__

Return value-self.

__rtruediv__

Return value/self.

__rxor__

Return value^self.

__setattr__

Implement setattr(self, name, value).

__sizeof__()

Returns size in memory, in bytes

__str__

Return str(self).

__sub__

Return self-value.

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__truediv__

Return self/value.

__trunc__()

Truncating an Integral returns itself.

__xor__

Return self^value.

bit_length() → int

Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6

conjugate()

Returns self, the complex conjugate of any int.

denominator

the denominator of a rational number in lowest terms

from_bytes(bytes, byteorder, *, signed=False) → int

Return the integer represented by the given array of bytes.

The bytes argument must be a bytes-like object (e.g. bytes or bytearray).

The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.

The signed keyword-only argument indicates whether two’s complement is used to represent the integer.

imag

the imaginary part of a complex number

numerator

the numerator of a rational number in lowest terms

real

the real part of a complex number

to_bytes(length, byteorder, *, signed=False) → bytes

Return an array of bytes representing an integer.

The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.

The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.

The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.

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

__abs__

abs(self)

__add__

Return self+value.

__and__

Return self&value.

__bool__

self != 0

__ceil__()

Ceiling of an Integral returns itself.

__class__

alias of sip.enumtype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'PyQt5.QtWidgets', '__or__': <slot wrapper '__or__' of 'RenderFlag' objects>, '__ror__': <slot wrapper '__ror__' of 'RenderFlag' objects>, '__dict__': <attribute '__dict__' of 'RenderFlag' objects>, '__doc__': None, '__reduce__': <method '_pickle_enum' of 'RenderFlag' objects>})

__dir__() → list

default dir() implementation

__divmod__

Return divmod(self, value).

__eq__

Return self==value.

__float__

float(self)

__floor__()

Flooring an Integral returns itself.

__floordiv__

Return self//value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__getnewargs__()

__gt__

Return self>value.

__hash__

Return hash(self).

__index__

Return self converted to an integer, if self is suitable for use as an index into a list.

__init__

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

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__int__

int(self)

__invert__

~self

__le__

Return self<=value.

__lshift__

Return self<<value.

__lt__

Return self<value.

__mod__

Return self%value.

__module__ = 'PyQt5.QtWidgets'

__mul__

Return self*value.

__ne__

Return self!=value.

__neg__

-self

__new__()

Create and return a new object. See help(type) for accurate signature.

__or__

Return self|value.

__pos__

+self

__pow__

Return pow(self, value, mod).

__radd__

Return value+self.

__rand__

Return value&self.

__rdivmod__

Return divmod(value, self).

__reduce__()

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__rfloordiv__

Return value//self.

__rlshift__

Return value<<self.

__rmod__

Return value%self.

__rmul__

Return value*self.

__ror__

Return value|self.

__round__()

Rounding an Integral returns itself. Rounding with an ndigits argument also returns an integer.

__rpow__

Return pow(value, self, mod).

__rrshift__

Return value>>self.

__rshift__

Return self>>value.

__rsub__

Return value-self.

__rtruediv__

Return value/self.

__rxor__

Return value^self.

__setattr__

Implement setattr(self, name, value).

__sizeof__()

Returns size in memory, in bytes

__str__

Return str(self).

__sub__

Return self-value.

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__truediv__

Return self/value.

__trunc__()

Truncating an Integral returns itself.

__xor__

Return self^value.

bit_length() → int

Number of bits necessary to represent self in binary. >>> bin(37) ‘0b100101’ >>> (37).bit_length() 6

conjugate()

Returns self, the complex conjugate of any int.

denominator

the denominator of a rational number in lowest terms

from_bytes(bytes, byteorder, *, signed=False) → int

Return the integer represented by the given array of bytes.

The bytes argument must be a bytes-like object (e.g. bytes or bytearray).

The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.

The signed keyword-only argument indicates whether two’s complement is used to represent the integer.

imag

the imaginary part of a complex number

numerator

the numerator of a rational number in lowest terms

real

the real part of a complex number

to_bytes(length, byteorder, *, signed=False) → bytes

Return an array of bytes representing an integer.

The integer is represented using length bytes. An OverflowError is raised if the integer is not representable with the given number of bytes.

The byteorder argument determines the byte order used to represent the integer. If byteorder is ‘big’, the most significant byte is at the beginning of the byte array. If byteorder is ‘little’, the most significant byte is at the end of the byte array. To request the native byte order of the host system, use `sys.byteorder’ as the byte order value.

The signed keyword-only argument determines whether two’s complement is used to represent the integer. If signed is False and a negative integer is given, an OverflowError is raised.

class RenderFlags

Bases: sip.simplewrapper

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

__and__

Return self&value.

__bool__

self != 0

__class__

alias of sip.wrappertype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'PyQt5.QtWidgets', '__hash__': <slot wrapper '__hash__' of 'RenderFlags' objects>, '__lt__': <slot wrapper '__lt__' of 'RenderFlags' objects>, '__le__': <slot wrapper '__le__' of 'RenderFlags' objects>, '__eq__': <slot wrapper '__eq__' of 'RenderFlags' objects>, '__ne__': <slot wrapper '__ne__' of 'RenderFlags' objects>, '__gt__': <slot wrapper '__gt__' of 'RenderFlags' objects>, '__ge__': <slot wrapper '__ge__' of 'RenderFlags' objects>, '__bool__': <slot wrapper '__bool__' of 'RenderFlags' objects>, '__invert__': <slot wrapper '__invert__' of 'RenderFlags' objects>, '__and__': <slot wrapper '__and__' of 'RenderFlags' objects>, '__rand__': <slot wrapper '__rand__' of 'RenderFlags' objects>, '__xor__': <slot wrapper '__xor__' of 'RenderFlags' objects>, '__rxor__': <slot wrapper '__rxor__' of 'RenderFlags' objects>, '__or__': <slot wrapper '__or__' of 'RenderFlags' objects>, '__ror__': <slot wrapper '__ror__' of 'RenderFlags' objects>, '__int__': <slot wrapper '__int__' of 'RenderFlags' objects>, '__iand__': <slot wrapper '__iand__' of 'RenderFlags' objects>, '__ixor__': <slot wrapper '__ixor__' of 'RenderFlags' objects>, '__ior__': <slot wrapper '__ior__' of 'RenderFlags' objects>, '__weakref__': <attribute '__weakref__' of 'RenderFlags' objects>, '__doc__': 'QWidget.RenderFlags()\nQWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag])\nQWidget.RenderFlags(QWidget.RenderFlags)'})

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__iand__

Return self&=value.

__init__

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

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__int__

int(self)

__invert__

~self

__ior__

Return self|=value.

__ixor__

Return self^=value.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'PyQt5.QtWidgets'

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__or__

Return self|value.

__rand__

Return value&self.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__ror__

Return value|self.

__rxor__

Return value^self.

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__weakref__

list of weak references to the object (if defined)

__xor__

Return self^value.

__class__

alias of sip.wrappertype

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.matsci.clusterstructgui', '__doc__': '\n Checkbox and combo that allows the user to select a species for the purpose\n of selecting dimers with or without the given species. The enabled state of\n the combobox is controlled by the checkbox.\n ', 'criterion_changed': <unbound PYQT_SIGNAL DimerSpeciesSelector.criterion_changed[str]>, '__init__': <function DimerSpeciesSelector.__init__>, 'createSubWidgets': <function DimerSpeciesSelector.createSubWidgets>, 'currentCriterion': <function DimerSpeciesSelector.currentCriterion>, 'criterionChanged': <function DimerSpeciesSelector.criterionChanged>, 'reset': <function DimerSpeciesSelector.reset>, 'applyToDimers': <function DimerSpeciesSelector.applyToDimers>})

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattr__(self, str) → object

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'schrodinger.application.matsci.clusterstructgui'

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__weakref__

list of weak references to the object (if defined)

acceptDrops(self) → bool

accessibleDescription(self) → str

accessibleName(self) → str

actionEvent(self, QActionEvent)

actions(self) → List[QAction]

activateWindow(self)

addAction(self, QAction)

addActions(self, object)

adjustSize(self)

animateClick(self, msecs: int = 100)

autoExclusive(self) → bool

autoFillBackground(self) → bool

autoRepeat(self) → bool

autoRepeatDelay(self) → int

autoRepeatInterval(self) → int

backgroundRole(self) → QPalette.ColorRole

baseSize(self) → QSize

blockSignals(self, bool) → bool

changeEvent(event)

Overrides the parent method to save & change the checkstate when the widget is enabled/disabled (if requested)

checkState(self) → Qt.CheckState

checkStateSet(self)

childAt(self, QPoint) → QWidget

childAt(self, int, int) -> QWidget

childEvent(self, QChildEvent)

children(self) → object

childrenRect(self) → QRect

childrenRegion(self) → QRegion

clear()

Clear out the species combo

clearFocus(self)

clearMask(self)

click(self)

clicked

clicked(self, 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

currentSpecies()

Return the currently selected species

Return type:schrodinger.application.matsci.clusterstruct.SpeciesData Returns:The currently selected species

cursor(self) → QCursor

customContextMenuRequested

customContextMenuRequested(self, QPoint) [signal]

customEvent(self, QEvent)

deleteLater(self)

depth(self) → int

destroy(self, destroyWindow: bool = True, destroySubWindows: bool = True)

destroyed

destroyed(self, 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) → object

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

forceSetChecked(state)

Change the checkstate of the widget even if it is disabled and we are controlling the checkstate of disabled widgets. Also sets this state to be the state when the widget re-enabled

Parameters:state (bool) – Whether the checkbox should be checked

foregroundRole(self) → QPalette.ColorRole

frameGeometry(self) → QRect

frameSize(self) → QSize

geometry(self) → QRect

getContentsMargins(self) → Tuple[int, int, int, int]

getNumberOfType()

Get the number of members of the current species

Return type:int Returns:The number of members of the current species

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

hasSpecies()

Check if any species have been loaded

Return type:bool Returns:True of any species has been loaded, False if not

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, QStyleOptionButton)

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

isTristate(self) → 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)

loadSpecies(structs)

Find all the species in the given structures and load them into the species type combobox

Parameters:structs (list of schrodinger.structure.Structure) – The structures to find the species in Return type:list of schrodinger.application.matsci.clusterstruct.SpeciesData Returns:Each item of the list is the data for a species found

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

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

nextCheckState(self)

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

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(self, QResizeEvent)

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)

setAttribute(self, Qt.WidgetAttribute, on: bool = True)

setAutoExclusive(self, bool)

setAutoFillBackground(self, bool)

setAutoRepeat(self, bool)

setAutoRepeatDelay(self, int)

setAutoRepeatInterval(self, int)

setBackgroundRole(self, QPalette.ColorRole)

setBaseSize(self, int, int)

setBaseSize(self, QSize)

setCheckState(self, Qt.CheckState)

setCheckable(self, bool)

setChecked(state)

Overrides the parent method to not actually change the check state if the widget is disabled AND we’re controlling the checkstate of disabled widgets. In that case, we only store the desired state for when the widget is re-enabled.

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

setContentsMargins(self, QMargins)

setContextMenuPolicy(self, Qt.ContextMenuPolicy)

setCurrentSpecies(species)

Fill the species combo with the list of current species

Parameters:species (dict) – Keys are unique SMILES strings, values are SpeciesData objects for the species with that SMILES string.

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

setDisabled(self, bool)

setDown(self, bool)

setEnabled(state)

Set both the checkbox and subwidget enabled/disabled

Parameters:state (bool) – The desired enabled state of both the checkbox and subwidget

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)

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

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)

setToolTip(self, str)

setToolTipDuration(self, int)

setTristate(self, on: bool = True)

setUpdatesEnabled(self, bool)

setVisible(state)

Set both the checkbox and subwidget visible

Parameters:state (bool) – The desired visible state of both the checkbox and subwidget

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)

showMinimized(self)

showNormal(self)

signalsBlocked(self) → bool

size(self) → QSize

sizeHint(self) → QSize

sizeIncrement(self) → QSize

sizePolicy(self) → QSizePolicy

speciesChanged()

React to a new species being selected

species_changed

stackUnder(self, QWidget)

startTimer(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int

stateChanged

stateChanged(self, int) [signal]

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]

toolTip(self) → str

toolTipDuration(self) → int

tr(self, str, disambiguation: str = None, n: int = -1) → str

trackAbleState()

Check whether we need to track the checkstate of this widget when it is enabled/disabled

Return type:bool Returns:Whether we should track the checkstate

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