Package schrodinger :: Package application :: Package matsci :: Module mswidgets :: Class EmbeddedSolventWidget
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Class EmbeddedSolventWidget

          object --+                            
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   sip.simplewrapper --+                        
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             sip.wrapper --+                    
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        PyQt4.QtCore.QObject --+                
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              object --+       |                
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       sip.simplewrapper --+   |                
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    PyQt4.QtGui.QPaintDevice --+                
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             PyQt4.QtGui.QWidget --+            
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    jaguar.gui.tabs.base_tab.BaseTab --+        
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jaguar.gui.tabs.solvation_tab.SolventTab --+    
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  jaguar.gui.tabs.solvation_tab.SolvationTab --+
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                                              EmbeddedSolventWidget

A master widget that contains the widgets from the Jaguar Solvation tab and is convenient to use outside the Jaguar gui environment.

Nested Classes [hide private]

Inherited from PyQt4.QtGui.QWidget: RenderFlag, RenderFlags

Inherited from PyQt4.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods [hide private]
 
__init__(self, parent=None, solvents=None, layout=None, dielectric=True, reference=False, keywords=None, models=None, other_solvent_options={})
Create a EmbeddedSolventWidget object
dict
_getGasPhaseKeywords(self)
Overrides the parent method to return an empty dictionary if the reference energy widgets are not shown
 
loadSettingsFromKeywords(self, keywords)
Set the widget states based on the given keyword dictionary
 
reset(self)
Reset the widgets to their initial values

Inherited from jaguar.gui.tabs.solvation_tab.SolvationTab: gasPhaseReferenceChanged, getMmJagKeywords, loadSettings, setup, solventModelChanged

Inherited from jaguar.gui.tabs.solvation_tab.SolventTab: calculateProbeRadius, solventTypeChanged

Inherited from jaguar.gui.tabs.base_tab.BaseTab: activate, deactivate, error, getDefaultKeywords, loadPerAtomSettings, saveSettings, validate, warning

Inherited from jaguar.gui.tabs.base_tab.BaseTab (private): _populateUi

Inherited from PyQt4.QtGui.QWidget: acceptDrops, accessibleDescription, accessibleName, actionEvent, actions, activateWindow, addAction, addActions, adjustSize, autoFillBackground, backgroundRole, baseSize, changeEvent, childAt, childrenRect, childrenRegion, clearFocus, clearMask, close, closeEvent, contentsMargins, contentsRect, contextMenuEvent, contextMenuPolicy, create, cursor, customContextMenuRequested, destroy, devType, dragEnterEvent, dragLeaveEvent, dragMoveEvent, dropEvent, effectiveWinId, enabledChange, ensurePolished, enterEvent, event, find, focusInEvent, focusNextChild, focusNextPrevChild, focusOutEvent, focusPolicy, focusPreviousChild, focusProxy, focusWidget, font, fontChange, fontInfo, fontMetrics, foregroundRole, frameGeometry, frameSize, geometry, getContentsMargins, grabGesture, grabKeyboard, grabMouse, grabShortcut, graphicsEffect, graphicsProxyWidget, handle, hasFocus, hasMouseTracking, height, heightForWidth, hide, hideEvent, inputContext, inputMethodEvent, inputMethodHints, inputMethodQuery, insertAction, insertActions, isActiveWindow, isAncestorOf, isEnabled, isEnabledTo, isEnabledToTLW, isFullScreen, isHidden, isLeftToRight, isMaximized, isMinimized, isModal, isRightToLeft, isTopLevel, isVisible, isVisibleTo, isWindow, isWindowModified, keyPressEvent, keyReleaseEvent, keyboardGrabber, languageChange, 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, nativeParentWidget, nextInFocusChain, normalGeometry, overrideWindowFlags, overrideWindowState, paintEngine, paintEvent, palette, paletteChange, parentWidget, pos, previousInFocusChain, raise_, rect, releaseKeyboard, releaseMouse, releaseShortcut, removeAction, render, repaint, resetInputContext, 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, setInputContext, setInputMethodHints, setLayout, setLayoutDirection, setLocale, setMask, setMaximumHeight, setMaximumSize, setMaximumWidth, setMinimumHeight, setMinimumSize, setMinimumWidth, setMouseTracking, setPalette, setParent, setShortcutAutoRepeat, setShortcutEnabled, setShown, setSizeIncrement, setSizePolicy, setStatusTip, setStyle, setStyleSheet, setTabOrder, setToolTip, setUpdatesEnabled, setVisible, setWhatsThis, setWindowFilePath, setWindowFlags, setWindowIcon, setWindowIconText, setWindowModality, setWindowModified, setWindowOpacity, setWindowRole, setWindowState, setWindowTitle, show, showEvent, showFullScreen, showMaximized, showMinimized, showNormal, size, sizeHint, sizeIncrement, sizePolicy, stackUnder, statusTip, style, styleSheet, tabletEvent, testAttribute, toolTip, topLevelWidget, underMouse, ungrabGesture, unsetCursor, unsetLayoutDirection, unsetLocale, update, updateGeometry, updateMicroFocus, updatesEnabled, visibleRegion, whatsThis, wheelEvent, width, winId, window, windowActivationChange, windowFilePath, windowFlags, windowIcon, windowIconText, windowModality, windowOpacity, windowRole, windowState, windowTitle, windowType, x, x11Info, x11PictureHandle, y

Inherited from PyQt4.QtCore.QObject: __getattr__, blockSignals, childEvent, children, connect, connectNotify, customEvent, deleteLater, destroyed, disconnect, disconnectNotify, dumpObjectInfo, dumpObjectTree, dynamicPropertyNames, emit, eventFilter, findChild, findChildren, inherits, installEventFilter, isWidgetType, killTimer, metaObject, moveToThread, objectName, parent, property, pyqtConfigure, receivers, removeEventFilter, sender, senderSignalIndex, setObjectName, setProperty, signalsBlocked, startTimer, thread, timerEvent, tr, trUtf8

Inherited from PyQt4.QtGui.QPaintDevice: colorCount, depth, heightMM, logicalDpiX, logicalDpiY, numColors, 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 jaguar.gui.tabs.solvation_tab.SolvationTab: NAME, SHOW_DIELECTRIC, SOLVENTS, SOLVENT_MODELS, UI_MODULES

Inherited from jaguar.gui.tabs.solvation_tab.SolventTab: HELP_TOPIC

Inherited from PyQt4.QtGui.QWidget: DrawChildren, DrawWindowBackground, IgnoreMask

Inherited from PyQt4.QtCore.QObject: staticMetaObject

Inherited from PyQt4.QtGui.QPaintDevice: PdmDepth, PdmDpiX, PdmDpiY, PdmHeight, PdmHeightMM, PdmNumColors, PdmPhysicalDpiX, PdmPhysicalDpiY, PdmWidth, PdmWidthMM

Instance Variables [hide private]

Inherited from jaguar.gui.tabs.base_tab.BaseTab: input_selector, task_name, ui

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, parent=None, solvents=None, layout=None, dielectric=True, reference=False, keywords=None, models=None, other_solvent_options={})
(Constructor)

 

Create a EmbeddedSolventWidget object

Parameters:
  • parent (QWidget) - The parent widget for this widget
  • solvents (list) - List of allowed solvents, each item should be a name Solvent tuple. schrodinger.jaguar.gui.utils.ALL_SOLVENTS for example.
  • layout (QBoxLayout) - The layout to place this widget into
  • dielectric (bool) - If True, show the dielectric widgets, if False, do not
  • reference (bool) - If True, show the reference energy widgets, if False, do not
  • keywords (dict) - The Jaguar solvent-related key/value pairs that define the initial widget values
  • models (dict) - The allowed solvent models. keys are strings displayed to the user, values are Jaguar keywords. See parent class SOLVENT_MODELS constant for example. Use an OrderedDict to control the order of the solvent models in the model combobox
Overrides: object.__init__

_getGasPhaseKeywords(self)

 

Overrides the parent method to return an empty dictionary if the reference energy widgets are not shown

Returns: dict
A dictionary of keywords
Overrides: jaguar.gui.tabs.solvation_tab.SolvationTab._getGasPhaseKeywords

loadSettingsFromKeywords(self, keywords)

 

Set the widget states based on the given keyword dictionary

Parameters:
  • keywords (dict) - Keys are jaguar keywords, values are keyword values

reset(self)

 

Reset the widgets to their initial values

Overrides: jaguar.gui.tabs.base_tab.BaseTab.reset