Package schrodinger :: Package application :: Package matsci :: Module reordergui :: Class StructureFrame
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Class StructureFrame

       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.QFrame --+
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                                   StructureFrame
Known Subclasses:

A QFrame that contains a 2D image of a structure. This also creates a QListWidget that is coordinated with the 2D image. This is the base class for both the Reference and Comparison structures.

Nested Classes [hide private]

Inherited from PyQt4.QtGui.QFrame: Shadow, Shape, StyleMask

Inherited from PyQt4.QtGui.QWidget: RenderFlag, RenderFlags

Inherited from PyQt4.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods [hide private]
 
__init__(self, master, structure_layout, list_layout, struct=None, mytype='Comparison')
Create a StructureFrame instance
 
setLabel(self, guessing=False)
Set the label that describes what the user should do
 
setStructure(self, struct)
Set the structure for this frame.
 
highlightAtom(self, index, guess=False)
Highlight the given atom
 
unmapAtom(self, index)
Mark an atom as unmapped
 
reset(self, reset_structure=True)
Reset to a blank frame, or remove any mapping but keep the structure
bool
isValidAtomIndex(self, index)
Check if this index is a valid atom index for the loaded structure

Inherited from PyQt4.QtGui.QFrame: changeEvent, drawFrame, event, frameRect, frameShadow, frameShape, frameStyle, frameWidth, lineWidth, midLineWidth, paintEvent, setFrameRect, setFrameShadow, setFrameShape, setFrameStyle, setLineWidth, setMidLineWidth, sizeHint

Inherited from PyQt4.QtGui.QWidget: acceptDrops, accessibleDescription, accessibleName, actionEvent, actions, activateWindow, addAction, addActions, adjustSize, autoFillBackground, backgroundRole, baseSize, childAt, childrenRect, childrenRegion, clearFocus, clearMask, close, closeEvent, contentsMargins, contentsRect, contextMenuEvent, 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, 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, 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 PyQt4.QtGui.QFrame: Box, HLine, NoFrame, Panel, Plain, Raised, Shadow_Mask, Shape_Mask, StyledPanel, Sunken, VLine, WinPanel

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, master, structure_layout, list_layout, struct=None, mytype='Comparison')
(Constructor)

 

Create a StructureFrame instance

Parameters:
  • master (ReorderAtomFrame) - The master Frame for this widget
  • structure_layout (QBoxLayout) - The layout to add this widget to.
  • list_layout (QBoxLayout) - The layout to add the associated ListWidget to.
  • struct (schrodinger.structure.Structure) - The structure for this frame
  • mytype (str) - Either REFERENCE or COMPARISON, the type of structure this Frame applies to.
Overrides: object.__init__

setLabel(self, guessing=False)

 

Set the label that describes what the user should do

Parameters:
  • guessing (bool) - True if there is currently a guess in place, False if not.

setStructure(self, struct)

 

Set the structure for this frame. Updates the image and the list widget

Parameters:

highlightAtom(self, index, guess=False)

 

Highlight the given atom

Parameters:
  • index (int) - The atom index to highlight
  • guess (bool) - True if this atom is marked by a guess, False if it was marked by the user. The background color used depends on this parameter.

unmapAtom(self, index)

 

Mark an atom as unmapped

Parameters:
  • index (int) - The atom index to mark

reset(self, reset_structure=True)

 

Reset to a blank frame, or remove any mapping but keep the structure

Parameters:
  • reset_structure - True if the structure should be reset, False if it should be kept
  • reset_structures (bool)

isValidAtomIndex(self, index)

 

Check if this index is a valid atom index for the loaded structure

Parameters:
  • index (int) - The atom index to check
Returns: bool
True 0 < index <= atom_total, False otherwise