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2016-3 Schrodinger Python API
Package schrodinger :: Package application :: Package jaguar :: Package gui :: Module input_tab_widgets_pka :: Class InputEntriesModelPka
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Class InputEntriesModelPka

         object --+                            
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  sip.simplewrapper --+                        
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            sip.wrapper --+                    
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       PyQt4.QtCore.QObject --+                
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PyQt4.QtCore.QAbstractItemModel --+            
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   PyQt4.QtCore.QAbstractTableModel --+        
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          Qt.QtCore.QAbstractTableModel --+    
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        input_tab_widgets.InputEntriesModel --+
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                                             InputEntriesModelPka

The data model for the pKa selected entries table

Nested Classes [hide private]
  COLUMN
Column constants for the pKa selected entries table
  ROW_CLASS
A class for accessing data about a project table row and the associated structure
Instance Methods [hide private]
 
__init__(self, parent)
x.__init__(...) initializes x; see help(type(x)) for signature
 
data(self, index, role=0)
 
_pkaData(self, proj_row, role)
Return data for the pKa atom column
bool
setData(self, index, value, role=2)
Set data for the specified index.
list
getStructures(self)
Get a list of all structures loaded into the table (i.e.
tuple
checkPkaAtoms(self)
Make sure that all structure have a valid pKa atom selected
 
addPkaMarkers(self, index, start_row, end_row)
Add pKa workspace atom markers for the specified rows
 
removePkaMarkers(self, index, start_row, end_row)
Remove the pKa workspace atom markers for the specified rows

Inherited from input_tab_widgets.InputEntriesModel: basisChanged, chargedStrucsPresent, checkBasisSets, clearRows, columnCount, entryIds, entryTitles, flags, getBasisForEid, getCommonBasis, headerData, perAtomBasisChanged, projectUpdated, reset, rowCount, setDefaultBasis, setPerAtomBasisModel, setSource, source, usingSelected, workspaceChanged

Inherited from input_tab_widgets.InputEntriesModel (private): _basisToolTipData, _displayAndSortData, _formattingData, _getBasis, _getDisplayBasis, _getPerAtomBasis, _hasValidBasis, _otherData, _perAtomToolTip, _singleBasisToolTip, _toolTipData, _updateCurTableRows, _updateProjData

Inherited from Qt.QtCore.QAbstractTableModel: setRoleNames, setSupportedDragActions

Inherited from PyQt4.QtCore.QAbstractTableModel: dropMimeData, hasChildren, index, parent

Inherited from PyQt4.QtCore.QAbstractItemModel: beginInsertColumns, beginInsertRows, beginMoveColumns, beginMoveRows, beginRemoveColumns, beginRemoveRows, beginResetModel, buddy, canFetchMore, changePersistentIndex, changePersistentIndexList, columnsAboutToBeInserted, columnsAboutToBeMoved, columnsAboutToBeRemoved, columnsInserted, columnsMoved, columnsRemoved, createIndex, dataChanged, decodeData, encodeData, endInsertColumns, endInsertRows, endMoveColumns, endMoveRows, endRemoveColumns, endRemoveRows, endResetModel, fetchMore, hasIndex, headerDataChanged, insertColumn, insertColumns, insertRow, insertRows, itemData, layoutAboutToBeChanged, layoutChanged, match, mimeData, mimeTypes, modelAboutToBeReset, modelReset, persistentIndexList, removeColumn, removeColumns, removeRow, removeRows, resetInternalData, revert, roleNames, rowsAboutToBeInserted, rowsAboutToBeMoved, rowsAboutToBeRemoved, rowsInserted, rowsMoved, rowsRemoved, setHeaderData, setItemData, sibling, sort, span, submit, supportedDragActions, supportedDropActions

Inherited from PyQt4.QtCore.QObject: __getattr__, blockSignals, childEvent, children, connect, connectNotify, customEvent, deleteLater, destroyed, disconnect, disconnectNotify, dumpObjectInfo, dumpObjectTree, dynamicPropertyNames, emit, event, eventFilter, findChild, findChildren, inherits, installEventFilter, isWidgetType, killTimer, metaObject, moveToThread, objectName, property, pyqtConfigure, receivers, removeEventFilter, sender, senderSignalIndex, setObjectName, setParent, setProperty, signalsBlocked, startTimer, thread, timerEvent, tr, trUtf8

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 input_tab_widgets.InputEntriesModel: ERROR_BACKGROUND_BRUSH, ERROR_POST, ERROR_PRE

Inherited from PyQt4.QtCore.QObject: staticMetaObject

Instance Variables [hide private]
 
set_pka_marker(...)
A signal emitted when a new pKa atom should be marked in the workspace.

Inherited from input_tab_widgets.InputEntriesModel: show_tool_tip

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, parent)
(Constructor)

 

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

Overrides: object.__init__
(inherited documentation)

data(self, index, role=0)

 
Overrides: PyQt4.QtCore.QAbstractItemModel.data

_pkaData(self, proj_row, role)

 

Return data for the pKa atom column

Parameters:
  • proj_row (ProjEntry) - The project row object to display data for
  • role (int) - The role to retrieve data for

setData(self, index, value, role=2)

 

Set data for the specified index. The spin multiplicity tool tip will be shown if an invalid spin multiplicity is set, or if a charge is set that renders the spin multiplicity invalid. (The tool tip explains that the default spin multiplicity is being used because the user-specifed value is invalid.)

Parameters:
  • index - The index to modify
  • value - The value to set
  • role - The role to set data for. Must be Qt.EditRole or setting will fail.
Returns: bool
True if setting succeeded. False if it failed.
Overrides: PyQt4.QtCore.QAbstractItemModel.setData

getStructures(self)

 

Get a list of all structures loaded into the table (i.e. all structures selected in the project table) and the associated settings.

Returns: list
A list of ProjEntryTuple objects
Overrides: input_tab_widgets.InputEntriesModel.getStructures
(inherited documentation)

checkPkaAtoms(self)

 

Make sure that all structure have a valid pKa atom selected

Returns: tuple
A tuple of
  • A list of structures with invalid pKa atoms
  • A list of structures with no pKa atom

addPkaMarkers(self, index, start_row, end_row)

 

Add pKa workspace atom markers for the specified rows

Parameters:
  • index - Not used, but present for Qt compatability
  • start_row (int) - The first row to add a pKa marker to
  • end_row (int) - The last row to add a pKa marker to

removePkaMarkers(self, index, start_row, end_row)

 

Remove the pKa workspace atom markers for the specified rows

Parameters:
  • index - Not used, but present for Qt compatibility
  • start_row (int) - The first row to add a pKa marker to
  • end_row (int) - The last row to add a pKa marker to

Instance Variable Details [hide private]

set_pka_marker(...)

 
A signal emitted when a new pKa atom should be marked in the workspace. Emitted with two arguments:

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2016-3 Schrodinger Python API
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