Package schrodinger :: Package application :: Package matsci :: Module clusterstructgui :: Class MonomerSpeciesSelector

Class MonomerSpeciesSelector

       object --+                                
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sip.simplewrapper --+                            
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          sip.wrapper --+                        
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     PyQt5.QtCore.QObject --+                    
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           object --+       |                    
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    sip.simplewrapper --+   |                    
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 PyQt5.QtGui.QPaintDevice --+                    
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      PyQt5.QtWidgets.QWidget --+                
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  PyQt5.QtWidgets.QAbstractButton --+            
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            PyQt5.QtWidgets.QCheckBox --+        
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                 ui.qt.swidgets.SCheckBox --+    
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        ui.qt.swidgets.SCheckBoxWithSubWidget --+
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                                               MonomerSpeciesSelector

Known Subclasses:

DimerSpeciesSelector

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

Nested Classes

[hide private]

Inherited from PyQt5.QtWidgets.QWidget: RenderFlag, RenderFlags

Inherited from PyQt5.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods

[hide private]

species_changed(...)

__init__(self, label='Limit active molecules to those of type:', command=None, **kwargs)
Create a Monomer SpeciesSelector instance

createSubWidgets(self)
Create the subwidgets the checkbox controls

_fixTypeComboSizing(self)
Make sure the combo expands if necessary when new species are added

schrodinger.application.matsci.clusterstruct.SpeciesData

currentSpecies(self)
Return the currently selected species

speciesChanged(self)
React to a new species being selected

bool

hasSpecies(self)
Check if any species have been loaded

clear(self)
Clear out the species combo

list of schrodinger.application.matsci.clusterstruct.SpeciesData

loadSpecies(self, structs)
Find all the species in the given structures and load them into the species type combobox

setCurrentSpecies(self, species)
Fill the species combo with the list of current species

reset(self)
Reset the widget, including clearing the species type combo

int

getNumberOfType(self)
Get the number of members of the current species

Inherited from ui.qt.swidgets.SCheckBoxWithSubWidget (private): _toggleStateChanged

Inherited from ui.qt.swidgets.SCheckBox: changeEvent, forceSetChecked, setChecked, trackAbleState

Inherited from PyQt5.QtWidgets.QCheckBox: checkState, checkStateSet, event, hitButton, initStyleOption, isTristate, minimumSizeHint, mouseMoveEvent, nextCheckState, paintEvent, setCheckState, setTristate, sizeHint, stateChanged

Inherited from PyQt5.QtWidgets.QAbstractButton: animateClick, autoExclusive, autoRepeat, autoRepeatDelay, autoRepeatInterval, click, clicked, focusInEvent, focusOutEvent, group, icon, iconSize, isCheckable, isChecked, isDown, keyPressEvent, keyReleaseEvent, mousePressEvent, mouseReleaseEvent, pressed, released, setAutoExclusive, setAutoRepeat, setAutoRepeatDelay, setAutoRepeatInterval, setCheckable, setDown, setIcon, setIconSize, setShortcut, setText, shortcut, text, timerEvent, toggle, toggled

Inherited from PyQt5.QtWidgets.QWidget: acceptDrops, accessibleDescription, accessibleName, actionEvent, actions, activateWindow, addAction, addActions, adjustSize, autoFillBackground, backgroundRole, baseSize, childAt, childrenRect, childrenRegion, clearFocus, clearMask, close, closeEvent, contentsMargins, contentsRect, contextMenuEvent, contextMenuPolicy, create, createWindowContainer, cursor, customContextMenuRequested, destroy, devType, dragEnterEvent, dragLeaveEvent, dragMoveEvent, dropEvent, effectiveWinId, ensurePolished, enterEvent, find, focusNextChild, focusNextPrevChild, focusPolicy, focusPreviousChild, focusProxy, focusWidget, font, fontInfo, fontMetrics, foregroundRole, frameGeometry, frameSize, geometry, getContentsMargins, grab, grabGesture, grabKeyboard, grabMouse, grabShortcut, graphicsEffect, graphicsProxyWidget, hasFocus, hasHeightForWidth, hasMouseTracking, height, heightForWidth, hide, hideEvent, initPainter, inputMethodEvent, inputMethodHints, inputMethodQuery, insertAction, insertActions, isActiveWindow, isAncestorOf, isEnabled, isEnabledTo, isFullScreen, isHidden, isLeftToRight, isMaximized, isMinimized, isModal, isRightToLeft, isVisible, isVisibleTo, isWindow, isWindowModified, keyboardGrabber, layout, layoutDirection, leaveEvent, locale, lower, mapFrom, mapFromGlobal, mapFromParent, mapTo, mapToGlobal, mapToParent, mask, maximumHeight, maximumSize, maximumWidth, metric, minimumHeight, minimumSize, minimumWidth, mouseDoubleClickEvent, mouseGrabber, move, moveEvent, nativeEvent, nativeParentWidget, nextInFocusChain, normalGeometry, overrideWindowFlags, overrideWindowState, paintEngine, palette, parentWidget, pos, previousInFocusChain, raise_, rect, releaseKeyboard, releaseMouse, releaseShortcut, removeAction, render, repaint, resize, resizeEvent, restoreGeometry, saveGeometry, scroll, setAcceptDrops, setAccessibleDescription, setAccessibleName, setAttribute, setAutoFillBackground, setBackgroundRole, setBaseSize, setContentsMargins, setContextMenuPolicy, setCursor, setDisabled, setEnabled, setFixedHeight, setFixedSize, setFixedWidth, setFocus, setFocusPolicy, setFocusProxy, setFont, setForegroundRole, setGeometry, setGraphicsEffect, setHidden, setInputMethodHints, setLayout, setLayoutDirection, setLocale, setMask, setMaximumHeight, setMaximumSize, setMaximumWidth, setMinimumHeight, setMinimumSize, setMinimumWidth, setMouseTracking, setPalette, setParent, setShortcutAutoRepeat, setShortcutEnabled, setSizeIncrement, setSizePolicy, setStatusTip, setStyle, setStyleSheet, setTabOrder, setToolTip, setToolTipDuration, setUpdatesEnabled, setVisible, setWhatsThis, setWindowFilePath, setWindowFlags, setWindowIcon, setWindowIconText, setWindowModality, setWindowModified, setWindowOpacity, setWindowRole, setWindowState, setWindowTitle, sharedPainter, show, showEvent, showFullScreen, showMaximized, showMinimized, showNormal, size, sizeIncrement, sizePolicy, stackUnder, statusTip, style, styleSheet, tabletEvent, testAttribute, toolTip, toolTipDuration, underMouse, ungrabGesture, unsetCursor, unsetLayoutDirection, unsetLocale, update, updateGeometry, updateMicroFocus, updatesEnabled, visibleRegion, whatsThis, wheelEvent, width, winId, window, windowFilePath, windowFlags, windowHandle, windowIcon, windowIconChanged, windowIconText, windowIconTextChanged, windowModality, windowOpacity, windowRole, windowState, windowTitle, windowTitleChanged, windowType, x, y

Inherited from PyQt5.QtCore.QObject: __getattr__, blockSignals, childEvent, children, connectNotify, customEvent, deleteLater, destroyed, disconnect, disconnectNotify, dumpObjectInfo, dumpObjectTree, dynamicPropertyNames, eventFilter, findChild, findChildren, inherits, installEventFilter, isSignalConnected, isWidgetType, isWindowType, killTimer, metaObject, moveToThread, objectName, objectNameChanged, parent, property, pyqtConfigure, receivers, removeEventFilter, sender, senderSignalIndex, setObjectName, setProperty, signalsBlocked, startTimer, thread, tr

Inherited from PyQt5.QtGui.QPaintDevice: colorCount, depth, devicePixelRatio, devicePixelRatioF, devicePixelRatioFScale, heightMM, logicalDpiX, logicalDpiY, paintingActive, physicalDpiX, physicalDpiY, widthMM

Inherited from sip.simplewrapper: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

[hide private]

Inherited from PyQt5.QtWidgets.QWidget: DrawChildren, DrawWindowBackground, IgnoreMask

Inherited from PyQt5.QtCore.QObject: staticMetaObject

Inherited from PyQt5.QtGui.QPaintDevice: PdmDepth, PdmDevicePixelRatio, PdmDevicePixelRatioScaled, PdmDpiX, PdmDpiY, PdmHeight, PdmHeightMM, PdmNumColors, PdmPhysicalDpiX, PdmPhysicalDpiY, PdmWidth, PdmWidthMM

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, label=`'Limit active molecules to those of type:'`, command=None, **kwargs)
(Constructor)

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

Overrides: object.__init__

createSubWidgets(self)

Create the subwidgets the checkbox controls

For this class, it is only the species type combobox

currentSpecies(self)

Return the currently selected species

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

hasSpecies(self)

Check if any species have been loaded

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

loadSpecies(self, 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

Returns: list of schrodinger.application.matsci.clusterstruct.SpeciesData

Each item of the list is the data for a species found

setCurrentSpecies(self, 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(self)

Reset the widget, including clearing the species type combo

Overrides: ui.qt.swidgets.SCheckBox.reset

getNumberOfType(self)

Get the number of members of the current species

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

Class MonomerSpeciesSelector

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

createSubWidgets(self)

currentSpecies(self)

hasSpecies(self)

loadSpecies(self, structs)

setCurrentSpecies(self, species)

reset(self)

getNumberOfType(self)

init(self, label=`'Limit active molecules to those of type:'`, command=None, **kwargs)
(Constructor)