Package schrodinger :: Package application :: Package matsci :: Module cgforcefieldgui :: Class CGForceFieldSelector
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Class CGForceFieldSelector

       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.QFrame --+    
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                ui.qt.swidgets.SFrame --+
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                                       CGForceFieldSelector

A set of widgets to allow selecting the coarse-grained force field

Nested Classes [hide private]

Inherited from PyQt5.QtWidgets.QFrame: Shadow, Shape, StyleMask

Inherited from PyQt5.QtWidgets.QWidget: RenderFlag, RenderFlags

Inherited from PyQt5.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods [hide private]
 
forceFieldChanged(...)
 
__init__(self, label='Force field:', description=True, stretch=True, layout_type='horizontal', **kwargs)
Create a CGForceFieldSelector instance
int
numForceFields(self)
Get the number of currently allowed force fields
 
showDescription(self)
Pop up a dialog with the description field from the force field
 
info(self, caption, msg)
Pop up an informational dialog with the given message
str
getSelectedName(self)
Get the currently-selected force field name
str
getSelectedPath(self)
Get the path to the currently-selected force field file
 
reset(self)
Reset all widgets and reload the available force fields
 
loadFFCombo(self)
Find all available force fields and load them into the combobox

Inherited from PyQt5.QtWidgets.QFrame: changeEvent, drawFrame, event, frameRect, frameShadow, frameShape, frameStyle, frameWidth, initStyleOption, lineWidth, midLineWidth, paintEvent, setFrameRect, setFrameShadow, setFrameShape, setFrameStyle, setLineWidth, setMidLineWidth, sizeHint

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, focusInEvent, focusNextChild, focusNextPrevChild, focusOutEvent, 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, keyPressEvent, keyReleaseEvent, keyboardGrabber, layout, layoutDirection, leaveEvent, locale, lower, mapFrom, mapFromGlobal, mapFromParent, mapTo, mapToGlobal, mapToParent, mask, maximumHeight, maximumSize, maximumWidth, metric, minimumHeight, minimumSize, minimumSizeHint, minimumWidth, mouseDoubleClickEvent, mouseGrabber, mouseMoveEvent, mousePressEvent, mouseReleaseEvent, 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, timerEvent, 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.QFrame: Box, HLine, NoFrame, Panel, Plain, Raised, Shadow_Mask, Shape_Mask, StyledPanel, Sunken, VLine, WinPanel

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='Force field:', description=True, stretch=True, layout_type='horizontal', **kwargs)
(Constructor)

 

Create a CGForceFieldSelector instance

The force field picker combobox is automatically populated based on the force field files available.

Parameters:
  • description (bool) - If True, include a button that pops up a dialog with the decscription for the chosen force field
  • stretch (bool) - Whether to add a stretch in the layout after this widget
  • layout_type (int) - Whether the widgets lay out horizontally or vertically. Should be swidgets.HORIZONTAL or swidgets.VERTICAL

    All other keyword args, including layout, are passed to the SFrame parent class

Overrides: object.__init__

numForceFields(self)

 

Get the number of currently allowed force fields

Returns: int
The number of force fields loaded into the combobox

info(self, caption, msg)

 

Pop up an informational dialog with the given message

Parameters:
  • caption (str) - The title of the dialog
  • msg (str) - The message to display

getSelectedName(self)

 

Get the currently-selected force field name

Returns: str
The name of the selected force field

getSelectedPath(self)

 

Get the path to the currently-selected force field file

Returns: str
The path to the selected force field file