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Suite 2012 Schrodinger Python API
Package schrodinger :: Package application :: Package desmond :: Module fep_gui :: Class _RingMut
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[frames] | no frames]

Class _RingMut

       object --+                
                |                
sip.simplewrapper --+            
                    |            
          sip.wrapper --+        
                        |        
     PyQt4.QtCore.QObject --+    
                            |    
           object --+       |    
                    |       |    
    sip.simplewrapper --+   |    
                        |   |    
 PyQt4.QtGui.QPaintDevice --+    
                            |    
          PyQt4.QtGui.QWidget --+
                                |
                               _RingMut
Nested Classes [hide private]

Inherited from PyQt4.QtGui.QWidget: RenderFlag, RenderFlags

Inherited from PyQt4.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods [hide private]
 
__init__(self, master, win, mode='desmond')
x.__init__(...) initializes x; see help(type(x)) for signature
 
viewClicked(self, index)
 
resetClicked(self, index)
 
getAttachmentAtoms(self)
 
_paint_lig(self, color)
 
_deball_lig(self)
 
_ball_rat(self, should_ball=True)
 
_highlight_ring(self, should_highlight=True)
 
setFragTableEnabled(self, should_enable=True)
 
_populate_frag_tbl(self, tar, excluded_name)
 
_disect_struc_impl(self, i_atom)
 
_disect_struc(self, i_atom)
 
prepickRingAtomCallback(self)
 
pickRingAtomCallback(self, i_atom)
 
_handle_focusin(self)
 
_gen_mutant_impl(self, i_row)
 
_gen_mutant(self, i_row)
 
_show_mutant_impl(self, i_row)
 
_show_mutant(self, i_row)
 
_reset_mutant(self, i_row)
 
selectionChangedCallback(self, ignored1, ignored2)
 
reset(self)
Resets the frame to the defaults.
 
getFragList(self)
 
_getStructs(self, frag_list=[])
Ring atom mutation - git a list of structures.
 
getStructures(self, fraglist=[])
Returns a list of CTs and number of selected rows.

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, 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]
  SP3_TAR = [_Atom(16, "O", "-O-", [(1, "*"), (1, "*"),]), _Atom...
  SP2_TAR = [_Atom(25, "N", "-N= | -NH-", [(1, "*"), (2, "*"),])...
  PO4_TAR = [_Atom(53, "P", "-O-P(O)(O-)-O-", [(1, "O"), (1, "O"...
  PO3_TAR = [_Atom(53, "P", "-P(O)(O-)-O-", [(1, "*"), (1, "O"),...
  PO2_TAR = [_Atom(53, "P", "-P(O)(O-)-", [(1, "*"), (1, "*"), (...
  ALL_TAR = [SP3_TAR, SP2_TAR, PO4_TAR, PO3_TAR, PO2_TAR,]
  ATOM_MARKER = 'i_fep_subst_ring'
  RING_MARKER = 'i_fep_ring'

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, win, mode='desmond')
(Constructor)

 

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__
(inherited documentation)

Class Variable Details [hide private]

SP3_TAR

Value:
[_Atom(16, "O", "-O-", [(1, "*"), (1, "*"),]), _Atom(49, "S", "-S-", [\
(1, "*"), (1, "*"),]), _Atom(26, "N", "-NH-", [(1, "H"), (1, "*"), (1,\
 "*"),]), _Atom(3, "C", "-CH2-", [(1, "H"), (1, "H"), (1, "*"), (1, "*\
"),]),]

SP2_TAR

Value:
[_Atom(25, "N", "-N= | -NH-", [(1, "*"), (2, "*"),]), _Atom(25, "N", "\
-N= | -NH-", [(1, "*"), (1, "*"), (1, "H"),]), _Atom(2, "C", "-CH=", [\
(1, "H"), (1, "*"), (2, "*"),]), _Atom(52, "S", "-S(+)=", [(1, "*"), (\
2, "*"),], 1), _Atom(20, "O", "-O(+)=", [(1, "*"), (2, "*"),], 1), _At\
om(31, "N", "-NH(+)=", [(1, "*"), (1, "H"), (2, "*"),], 1),]

PO4_TAR

Value:
[_Atom(53, "P", "-O-P(O)(O-)-O-", [(1, "O"), (1, "O"), (2, "O"), (1, "\
O",-1),]), _Atom(22, "O", "-O-", [(1, "*"), (1, "*"),]), _Atom(52, "S"\
, "-O-SO2-O-", [(1, "O"), (1, "O"), (2, "O"), (2, "O",),]),]

PO3_TAR

Value:
[_Atom(53, "P", "-P(O)(O-)-O-", [(1, "*"), (1, "O"), (2, "O"), (1, "O"\
,-1),]), _Atom(52, "S", "-SO2-O-", [(1, "*"), (1, "O"), (2, "O"), (2, \
"O",),]),]

PO2_TAR

Value:
[_Atom(53, "P", "-P(O)(O-)-", [(1, "*"), (1, "*"), (2, "O"), (1, "O",-\
1),]), _Atom(52, "S", "-SO2-", [(1, "*"), (1, "*"), (2, "O"), (2, "O",\
),]),]

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Suite 2012 Schrodinger Python API
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