Package schrodinger :: Package application :: Package matsci :: Module builderwidgets :: Class ComplexTemplateSketcher
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Class ComplexTemplateSketcher

       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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                ui.qt.swidgets.SFrame --+    
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                              SketcherBox --+
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                                           ComplexTemplateSketcher

A 2D sketcher that is decorated with a number of widgets for creating and saving templates. Overrides the parent class mainly for validation of the template structure.

This class is specifically for templates for the Single and Multi complex builders, which use a different directory name for historical reasons

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, *args, **kwargs)
Create a SketcherBox instance
 
moveOldTemplates(self)
Move any templates from the old location to the new one that is used starting in 2014-3
bool
validateRAtomIdentity(self, rx_atoms, max_x)
Run validation on the values of the R atoms and error code.
bool
validateRAtomStructure(self, struct, rx_atoms, max_x)
Overwrite in a child class to run validation on the R atoms that requires a schrodinger.structure.Structure object.

Inherited from SketcherBox: buildTemplateList, changeMarkerAtomsToTempElement, clearSketcher, getDefaultCustomTemplateDir, getRecentTemplatePath, getRecentTemplatesList, getRxAtoms, getSketcherStructure, getUserTemplateList, importWorkspace, loadTemplate, manageTemplates, readTemplateStructure, reset, saveTemplate, setCustomTemplateDir, setSketcherStructure, templatesUpdated, updateRecentTemplateFile

Inherited from SketcherBox (private): _getChmMolFromCT

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 SketcherBox: MARKING_INFO

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, *args, **kwargs)
(Constructor)

 

Create a SketcherBox instance

Parameters:
  • master - Must have a warning method
  • builtin_path - The absolute path to the built-in templates
  • custom_dirname - The base name of the path to the custom templates
  • layout - The layout to place this widget into
Overrides: object.__init__
(inherited documentation)

validateRAtomIdentity(self, rx_atoms, max_x)

 

Run validation on the values of the R atoms and error code. An error message is be displayed to the user by this method if appropriate

Parameters:
  • rx_atoms (dict) - keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
  • max_x (int) - The larget value of x in the keys of rx_atoms
Returns: bool
True if everything is OK, False if not
Overrides: SketcherBox.validateRAtomIdentity

validateRAtomStructure(self, struct, rx_atoms, max_x)

 

Overwrite in a child class to run validation on the R atoms that requires a schrodinger.structure.Structure object. An error message should be displayed to the user by this method if appropriate.

Parameters:
  • struct (schrodinger.structure.Structure) - The structure to use for validating the Ra atoms
  • rx_atoms (dict) - keys are the int value of x in Rx, values are lists of atom indexes set to that Rx value (atom indexes are 1-based)
  • max_x (int) - The larget value of x in the keys of rx_atoms
Returns: bool
True if everything is OK, False if not
Overrides: SketcherBox.validateRAtomStructure