Package schrodinger :: Package application :: Package jaguar :: Package gui :: Package tabs :: Module properties_tab :: Class PropertiesTabBase

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Class PropertiesTabBase

       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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                 base_tab.BaseTab --+
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                                   PropertiesTabBase

Known Subclasses:

Nested Classes

[hide private]

Inherited from PyQt4.QtGui.QWidget: RenderFlag, RenderFlags

Inherited from PyQt4.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods

[hide private]

setup(self)
Common setup for all properties tabs.

_createValidators(self)
This function creates validators for various line edit widgets in the properties tab.

_createSubTabMapping(self)
This function creates some map of rows to sub tab object.

dict

getMmJagKeywords(self)
This function returns dictionary of mmjag keywords for this tab.

loadSettings(self, keywords)
This function restores this tab from the keywords dictionary

theoryOrBasisUpdated(self, theory_level, dft_functional, spin_unrestricted, basis)
Respond to the user changing the level of theory or the basis set.

updatePropertiesTable(self)
This function enables and disables rows in the properties table depending on current theory and theory options.

list

getAllowedRows(self)
This function returns list of property rows that need to be enabled for all tasks.

enableRows(self)
This function updates properties table to enable rows that were specified in self.allowed_rows member variable.

bool

checkSpecialRows(self)
This function checks theory options (multiplicity and spin) and determines whether certain rows should be enabled or disabled.

Inherited from base_tab.BaseTab: __init__, error, getDefaultKeywords, reset, saveSettings, validate, warning

Inherited from 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

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str NAME = 'Properties'
The name of the tab

str HELP_TOPIC = 'JAGUAR_TOPIC_PROPERTIES_FOLDER'
The help topic for the tab

Inherited from base_tab.BaseTab: UI_MODULES

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 base_tab.BaseTab: input_selector, task_name, ui

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

setup(self)

Common setup for all properties tabs.

Overrides: base_tab.BaseTab.setup

_createSubTabMapping(self)

This function creates some map of rows to sub tab object. We can also add connections to specific tabs here as well.

getMmJagKeywords(self)

This function returns dictionary of mmjag keywords for this tab.

Returns: dict

mmjag keywords dictionary

Raises:

schrodinger.application.jaguar.gui.utils.JaguarSettingError - If any settings are invalid.

Overrides: base_tab.BaseTab.getMmJagKeywords

loadSettings(self, keywords)

This function restores this tab from the keywords dictionary

Parameters:

keywords (dict) - mmjag keywrods dictionary

Overrides: base_tab.BaseTab.loadSettings

theoryOrBasisUpdated(self, theory_level, dft_functional, spin_unrestricted, basis)

Respond to the user changing the level of theory or the basis set.

Parameters:

theory (str) - The current level of theory. Must be one of "DFT", "HF" or "LMP2"
dft_functional (str or NoneType) - If c{theory} is "DFT", the currently selected functional level. If theory is not "DFT" or if the user has not specified a functional level, should be None.
spin_unrestricted (bool) - Whether the spin-unrestricted check box is checked in the theory tab. If theory is "LMP2", should be None.
basis (str) - The currently selected basis set without the polarization or diffuse levels (i.e. "6-31G" rather than "6-31G**+")

updatePropertiesTable(self)

This function enables and disables rows in the properties table depending on current theory and theory options. It needs to be defined for each subclass.

getAllowedRows(self)

This function returns list of property rows that need to be enabled for all tasks. In subclasses this function we may need to override this function to add more rows.

Returns: list: list property rown that should be enabled

checkSpecialRows(self)

This function checks theory options (multiplicity and spin) and determines whether certain rows should be enabled or disabled.

Returns: bool: True or False indicating whether special rows should be enabled or disabled.