Package schrodinger :: Package application :: Package jaguar :: Package gui :: Package tabs :: Module scan_tab :: Class ScanTab

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Class ScanTab

       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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                                   ScanTab

This is Scan tab.

Nested Classes

[hide private]

Inherited from PyQt4.QtGui.QWidget: RenderFlag, RenderFlags

Inherited from PyQt4.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods

[hide private]

setup(self)
Setup for scan tab.

_resetDefaults(self)
This function resets panel to default state.

dict

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

loadSettings(self, jag_input)
Restore scan coordinates settings from Jaguar handle.

saveSettings(self, jag_input)
Save scan coordinate settings in jaguar handle.

pickTypeChanged(self)
This slot is called when pick type changed.

showDihedralDialog(self)
This slot is called to bring up dihedrals dialog.

selectionChanged(self, selected, deselected)
This slot is called when selection in coordinates table is changed.

enableSelectedCoordinates(self, enable)
This function is called to enable/disable widgets in 'selected coordinate' box.

deleteCurrentRow(self)
This function is called to delete row which is currently selected from the coordinates table.

addCoordinate(self, st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)
Add new coordinate row.

updateTotalStructures(self)
Calculate total number of structures to be calculated and update the label.

updateMarkers(self)
This function should make calls to show coordinate markers in Maestro workspace.

pickCompleted(self, atoms)
This slot is called when required number of atoms for the current coordinate type has been picked.

Inherited from base_tab.BaseTab: __init__, error, getDefaultKeywords, reset, 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

[hide private]

str NAME = 'Scan'
The name of the tab

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

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

COLUMN = ScanCoordinateColumns()

MAX_ROW_COUNT = 5

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)

Setup for scan tab.

Overrides: base_tab.BaseTab.setup

_resetDefaults(self)

This function resets panel to default state. Note that this function is not called reset() since it does not need to be called from the panel class.

getMmJagKeywords(self)

This function returns dictionary of mmjag keywords for this tab. Since this tab does not set any keywords it returns an empty dictionary.

Returns: dict

mmjag keywords dictionary

Raises:

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

Overrides: base_tab.BaseTab.getMmJagKeywords

loadSettings(self, jag_input)

Restore scan coordinates settings from Jaguar handle.

Parameters:

jag_input (schrodinger.application.jaguar.input.JaguarInput) - The Jaguar settings to base the tab settings on

Overrides: base_tab.BaseTab.loadSettings

saveSettings(self, jag_input)

Save scan coordinate settings in jaguar handle.

Parameters:

jag_input (schrodinger.application.jaguar.input.JaguarInput) - The Jaguar handle where tab settings are saved.

Overrides: base_tab.BaseTab.saveSettings

pickTypeChanged(self)

This slot is called when pick type changed. Depending on current combination of 'pick' type and coordinate type it would enable or disable 'Dihedral' button.

showDihedralDialog(self)

This slot is called to bring up dihedrals dialog. This function is not implemented since we are considering removing 'Show Dihedrals' button that is connected to this function.

selectionChanged(self, selected, deselected)

This slot is called when selection in coordinates table is changed.

Parameters:

selected (QtGui.QItemSelection) - selected indices
deselected (QtGui.QItemSelection) - deselected indices

enableSelectedCoordinates(self, enable)

This function is called to enable/disable widgets in 'selected coordinate' box. When enable argument is False we also clear text in all widgets.

Parameters:

enable (bool) - True/False to enable/disable widgets

addCoordinate(self, st, atoms, coordinate_type, start_value=None, final_value=None, increment=None)

Add new coordinate row.

Parameters:

st (schrodinger.structure.Structure) - structure
atoms (list) - atom indices
coordinate_type (str) - coordinate type
start_value (float) - starting coordinate value
final_value (float) - final coordinate value
increment (float) - increment value

updateMarkers(self)

This function should make calls to show coordinate markers in Maestro workspace. FIXME: currently there is no API to do this, so this function does nothing right now.

pickCompleted(self, atoms)

This slot is called when required number of atoms for the current coordinate type has been picked.

Parameters:

atoms (list) - list of atom indices

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.scan_tab_ui' from '/nf
s/builds/objects/OB/2014-1/Linux-x86_64/build08/mmshare-v2.5/lib/Linux
-x86_64/lib/python2.7/site-packages/schrodinger/application/jaguar/gui
/ui/scan_tab_ui.pyc'>)