Package schrodinger :: Package application :: Package desmond :: Module gui_v2 :: Class GuiApp

Class GuiApp

       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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          PyQt4.QtGui.QMainWindow --+    
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      ui.qt.appframework.AppFramework --+
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                                       GuiApp

Base class of several Desmond panel GUI's (see its subclasses below).

Nested Classes

[hide private]

Inherited from PyQt4.QtGui.QMainWindow: DockOption, DockOptions

Inherited from PyQt4.QtGui.QWidget: RenderFlag, RenderFlags

Inherited from PyQt4.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods

[hide private]

__init__(self, key, validator, tag_func, panel_title, default_jobname, sim_class, enable_read=True, config_dialog_class=<class schrodinger.ui.qt.appframework.ConfigDialog at 0x24f99a78>, ui_file=None)
See class docstring.

enableSimulationGroupBox(self, state)
Set the simulation group box enabled state

model_changed_callback(self, model)
The GUI is designed to have some intelligence that can adapt its own look based on the imported model system.

updateFromKey(self, key)
Updates the look of the GUI with `key'.

_check_validity(self)
Checks if all widgets have valid values.

_update_key(self)
Update the `self._key' based on the GUI settings.

_submit_job(self, jobname, incorp, host, cpu, sys_fname, cfg_fname=None, really_start=True)
`cpu' should be the total number of CPUs.

_submit_multisim_job(self, jobname, incorp, whost, chost, cpus, maxjob, sys_fname, cfg_fname, msj_fname, out_fname, other_options=[], really_start=True)

_set_detail(self, n_cpu)

preCommand(self)
Does necessary checks, and reports if OK to start job

startCommand(self, really_start=True)

askOverwriteJobname(self, jobname)

_write_msj(self, jobname, msj_str)

_write_cms(self, jobname)

_write_cfg(self, jobname)
self is MDApp self.sim is MdGroup

_get_msj(self, cfg_fname)

writeCommand(self)

readCommand(self)

isKeyConsistentWithPanel(self, key)

resetPanel(self)
Resets the parameters to their default values.

hidePanel(self)
Quits the panel and cleans up objects.

quitPanel(self)
For debugging only

openHelp(self)
Overwrite in the subclass

Inherited from ui.qt.appframework.AppFramework: addButtonToBottomLayout, addCentralWidget, askOverwrite, askOverwriteIfNecessary, closeEvent, closePanel, createMenus, error, exec_, getApp, getInputFile, getInputSource, getOpenFileName, getOpenFileNames, help, info, interior, isDockableInMaestro, jobCompleted, monitorJob, processEvents, question, restoreCursor, runCommand, setButtonEnabled, setButtonState, setJobViewname, setProgress, setProgressError, setWaitCursor, setupJobParameters, show, showEvent, timerEvent, trackJobProgress, updateJobname, updateStatusBar, warning

Inherited from ui.qt.appframework.AppFramework (private): _applyStartDialogParams, _commandCallback, _createMenuItem, _jobprefersettings, _makeItem, _makeMenu, _periodicCallback, _read, _reset, _setButtonDefaults, _settings, _setupBottomButtons, _setupDESResIcon, _start, _start_wrapper, _updateToolWindowFlag, _write

Inherited from PyQt4.QtGui.QMainWindow: addDockWidget, addToolBar, addToolBarBreak, centralWidget, contextMenuEvent, corner, createPopupMenu, dockOptions, dockWidgetArea, documentMode, event, iconSize, iconSizeChanged, insertToolBar, insertToolBarBreak, isAnimated, isDockNestingEnabled, isSeparator, menuBar, menuWidget, removeDockWidget, removeToolBar, removeToolBarBreak, restoreDockWidget, restoreState, saveState, setAnimated, setCentralWidget, setCorner, setDockNestingEnabled, setDockOptions, setDocumentMode, setIconSize, setMenuBar, setMenuWidget, setStatusBar, setTabPosition, setTabShape, setToolButtonStyle, setUnifiedTitleAndToolBarOnMac, splitDockWidget, statusBar, tabPosition, tabShape, tabifiedDockWidgets, tabifyDockWidget, toolBarArea, toolBarBreak, toolButtonStyle, toolButtonStyleChanged, unifiedTitleAndToolBarOnMac

Inherited from PyQt4.QtGui.QWidget: acceptDrops, accessibleDescription, accessibleName, actionEvent, actions, activateWindow, addAction, addActions, adjustSize, autoFillBackground, backgroundRole, baseSize, changeEvent, childAt, childrenRect, childrenRegion, clearFocus, clearMask, close, contentsMargins, contentsRect, contextMenuPolicy, create, cursor, customContextMenuRequested, destroy, devType, dragEnterEvent, dragLeaveEvent, dragMoveEvent, dropEvent, effectiveWinId, enabledChange, ensurePolished, enterEvent, 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, 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, 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 ui.qt.appframework.AppFramework: start_wrapper_timeout

Inherited from PyQt4.QtGui.QMainWindow: AllowNestedDocks, AllowTabbedDocks, AnimatedDocks, ForceTabbedDocks, VerticalTabs

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, key, validator, tag_func, panel_title, default_jobname, sim_class, enable_read=True, config_dialog_class=<class schrodinger.ui.qt.appframework.ConfigDialog at 0x24f99a78>, ui_file=None)
(Constructor)

See class docstring.

Overrides: object.__init__: (inherited documentation)

enableSimulationGroupBox(self, state)

Set the simulation group box enabled state

Parameters:

state (bool) - True if the groupbox should be enabled, False if not

model_changed_callback(self, model)

The GUI is designed to have some intelligence that can adapt its own look based on the imported model system. So if the model system is changed, we need to inform some other parts of the GUI.

The event that the model system is changed will be initially triggered from the `InputGroup' (see this class above), then it will go to here (i.e., `GuiApp'), and from here the signal will be sent forth to all interested parts of the GUI.

`model' - A `cms.Cms' object, containing all information about the model system.

If it is none, then the model is a checkpoint file.

_check_validity(self)

Checks if all widgets have valid values. If a widget with invalid value was encountered, then returns string that describes the problem. Returns None if there are no issues.

_submit_job(self, jobname, incorp, host, cpu, sys_fname, cfg_fname=None, really_start=True)

`cpu' should be the total number of CPUs. For REMD jobs, the total number of CPUs = number of CPUs for each replica times number of replicas.

quitPanel(self)

For debugging only

Overrides: ui.qt.appframework.AppFramework.quitPanel

Class GuiApp

__init__(self, key, validator, tag_func, panel_title, default_jobname, sim_class, enable_read=True, config_dialog_class=<class schrodinger.ui.qt.appframework.ConfigDialog at 0x24f99a78>, ui_file=None) (Constructor)

enableSimulationGroupBox(self, state)

model_changed_callback(self, model)

_check_validity(self)

_submit_job(self, jobname, incorp, host, cpu, sys_fname, cfg_fname=None, really_start=True)

quitPanel(self)

init(self, key, validator, tag_func, panel_title, default_jobname, sim_class, enable_read=True, config_dialog_class=<class schrodinger.ui.qt.appframework.ConfigDialog at 0x24f99a78>, ui_file=None)
(Constructor)