Package schrodinger :: Package application :: Package jaguar :: Package gui :: Package tabs :: Module input_tab :: Class InputTab

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Class InputTab

       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.ProvidesBasisMixin --+
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       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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                                   InputTab

Nested Classes

[hide private]

Inherited from PyQt4.QtGui.QWidget: RenderFlag, RenderFlags

Inherited from PyQt4.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods

[hide private]

setup(self)
Perform tab specific initialization.

projectUpdated(self)
When the project is updated, update the selected entries table

_checkNewBasis(self)
When the user enters a new default basis set, check to see if it's acceptable.

dict

getDefaultKeywords(self)
The mmjag default basis set is "", which would cause a warning, so we set the default basis.

dict

getMmJagKeywords(self)
Get the symmetry-related mmjag keywords.

loadSettings(self, jag_input)
Restore tab settings from mmjag keywords.

_loadSymmetry(self, jag_input)
Update the panel based on the symmetry-related mmjag keywords

_loadBasis(self, jag_input)
Load the default basis from the mmjag keywords

_loadChargeAndSpinMult(self, jag_input)
Load charge and spin multiplicity settings from mmjag keywords.

str

getBasis(self)
Get the currently selected basis

str or NoneType

validate(self)
Make sure that the tab settings will allow a job to be run successfully.

list

getStructures(self)
Get all structures loaded into the tab and their associated Jaguar settings

getNumStructures(self)

reset(self)
Reset any structure specific settings in the table.

Inherited from base_tab.ProvidesBasisMixin: basis_changed

Inherited from base_tab.BaseTab: __init__, error, saveSettings, 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

[hide private]

str NAME = 'Input'
The name of the tab

str HELP_TOPIC = ""
The help topic for the tab

tuple UI_MODULES = (<module 'schrodinger.application.jaguar.gui.ui.i...
A tuple of ui modules defining the tab widgets.

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)

Perform tab specific initialization. This function should be defined in subclasses if initialization is needed.

Overrides: base_tab.BaseTab.setup: (inherited documentation)

_checkNewBasis(self)

When the user enters a new default basis set, check to see if it's acceptable. If it is, update self._acceptable_basis and emit basis_changed.

getDefaultKeywords(self)

The mmjag default basis set is "", which would cause a warning, so we set the default basis.

Returns: dict: A keyword dictionary with the default basis set
Overrides: base_tab.BaseTab.getDefaultKeywords

getMmJagKeywords(self)

Get the symmetry-related mmjag keywords. All other keywords are per- structure

Returns: dict

All keywords that should be put into the mmjag handle

Raises:

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

Overrides: base_tab.BaseTab.getMmJagKeywords

loadSettings(self, jag_input)

Restore tab settings from mmjag keywords. This function should be defined in subclasses.

Parameters:

jag_input - The Jaguar settings to base the tab settings on

Overrides: base_tab.BaseTab.loadSettings

(inherited documentation)

_loadSymmetry(self, jag_input)

Update the panel based on the symmetry-related mmjag keywords

Parameters:

jag_input (schrodinger.application.jaguar.input.JaguarInput) - A JaguarInput object containing the settings to load

_loadBasis(self, jag_input)

Load the default basis from the mmjag keywords

Parameters:

jag_input (schrodinger.application.jaguar.input.JaguarInput) - A JaguarInput object containing the settings to load

_loadChargeAndSpinMult(self, jag_input)

Load charge and spin multiplicity settings from mmjag keywords. If the relevant settings are at their defaults, then no changes will be made. If the relevant settings are not defaults, then there must be exactly one structure loaded into the table and the settings will be applied to this structure.

getBasis(self)

Get the currently selected basis

Returns: str: The currently selected basis
Overrides: base_tab.ProvidesBasisMixin.getBasis: (inherited documentation)

validate(self)

Make sure that the tab settings will allow a job to be run successfully. Note that this validation should not be redundant with that performed in getMmJagKeywords. Any tab setting that prevents valid mmjag keywords from being generated should cause getMmJagKeywords to raise a JaguarSettingError. Any tab setting that allows mmjag keywords to be successfully generated but will result in a job failure should cause a validate fail. This function should be defined in subclasses if validation is needed.

Returns: str or NoneType: If the validation passes, None is returned. If the validation fails, a string that describes the error is returned.
Overrides: base_tab.BaseTab.validate: (inherited documentation)

getStructures(self)

Get all structures loaded into the tab and their associated Jaguar settings

Returns: list

A list of tuples. Each tuple represents a single structure and contains:

A schrodinger.structure.Structure object containing the structure itself
A dictionary of keywords specific to the structure

reset(self)

Reset any structure specific settings in the table. (The non-struture specific settings will be reset via loadSettings())

Overrides: base_tab.BaseTab.reset

Class Variable Details

[hide private]

UI_MODULES

A tuple of ui modules defining the tab widgets. These ui modules should be listed top to bottom. Optionally, a tuple of (tab class, attribute name) may be listed instead of a ui file to include a subtab.

Type:: tuple

Value:

(<module 'schrodinger.application.jaguar.gui.ui.input_tab_ui' from '/n
fs/builds/objects/OB/2014-1/Linux-x86_64/build08/mmshare-v2.5/lib/Linu
x-x86_64/lib/python2.7/site-packages/schrodinger/application/jaguar/gu
i/ui/input_tab_ui.pyc'>)