schrodinger.ui.qt.table_helper module

Classes to help in creating PyQt table models and views

schrodinger.ui.qt.table_helper.data_method(*roles)

A decorator for RowBasedTableModel and RowBasedListModel methods that provide data. The decorator itself must be given arguments of the Qt roles that the method will provide data for.

The decorated RowBasedTableModel method must take two or three arguments. Two argument methods will be passed:

  • The column number of the requested data (int)

  • The ROW_CLASS object representing the row to provide data for three argument methods will also be passed:

    • The Qt role (int)

The decorated RowBasedListModel method must take one or two arguments. One argument methods will be passed:

  • The ROW_CLASS object representing the row to provide data for Two argument methods will also be passed:

    • The Qt role (int)

See table_helper_example for examples of decorated methods.

schrodinger.ui.qt.table_helper.model_reset_method(func, self, *args, **kwargs)

A decorator for RowBasedTableModel and RowBasedListModel methods that reset the data model. See ModelResetContextMixin for a context manager version of this.

class schrodinger.ui.qt.table_helper.ModelResetContextMixin

Bases: object

A mixin for QtCore.QAbstractItemModel subclasses that adds a modelResetContext context manager to reset the model.

modelResetContext()

A context manager for resetting the model. See model_reset_method for a decorator version of this.

class schrodinger.ui.qt.table_helper.DataMethodDecoratorMixin(*args, **kwargs)

Bases: object

A mixin for QtCore.QAbstractItemModel subclasses that use the data_method mixin. Subclasses must define _genDataArgs.

__init__(*args, **kwargs)
data(index, role=ItemDataRole.DisplayRole)

Provide data for the specified index and role. Classes should not redefine this method. Instead, new methods should be created and decorated with data_method.

See Qt documentation for an explanation of arguments and return value

class schrodinger.ui.qt.table_helper.DataMethodDecoratorProxyMixin(*args, **kwargs)

Bases: schrodinger.ui.qt.table_helper.DataMethodDecoratorMixin

A mixin for QtCore.QAbstractProxyModel subclasses that use the data_method mixin.

data(proxy_index, role=ItemDataRole.DisplayRole)

Provide data for the specified index and role. Classes should not redefine this method. Instead, new methods should be created and decorated with data_method. If no data method for the requested role is found, then the source model’s data() method will be called.

See Qt documentation for an explanation of arguments and return value

class schrodinger.ui.qt.table_helper.RowBasedModelMixin(parent=None)

Bases: schrodinger.ui.qt.table_helper.ModelResetContextMixin, schrodinger.ui.qt.table_helper.DataMethodDecoratorMixin

A table model where data is organized in rows. This class is intended to be subclassed and should not be instantiated directly. All subclasses must redefine COLUMN and must include at least one method decorated with data_method. Subclasses must also redefine:

Data may be added to the table using loadData or appendRow. Data may be deleted using removeRow or removeRows. Subclass methods that reset the model may use the model_reset_method decorator.

Variables

  • Column (TableColumns) – A class describing the table’s columns. See TableColumns.

  • ROW_CLASS (type) – A class that represents a single row of the table. ROW_CLASS must be defined in any subclasses that use appendRow

  • ROW_LIST_OFFSET (int) – The index of the first element in self._rows. Setting this value to 1 allows the class to be used with one-indexed lists.

  • SHOW_ROW_NUMBERS (bool) – Whether to show row numbers in the vertical header.

The following class variables are the deprecated way of specifying columns. They may not be given if Column is used:

Variables

  • COLUMN (type) – May not be given if Column is used. A alternative method for describing the table’s columns. Column should be preferred for newly created RowTableModel subclasses. A class containing constants describing the table columns. COLUMN must also include the following attributes: (HEADERS: A list of column headers (list), NUM_COLS: The number of columns in the table (int), TOOLTIPS (optional): A list of column header tooltips (list)).

  • EDITABLE_COLS (list) – May not be given if Column is used. Use editable=True in the TableColumn declaration instead. A list of column numbers for columns that should be flagged as editable. Note that only one of EDITABLE_COLS and UNEDITABLE_COLS may be provided. If neither are provided, then no columns will be editable.

  • UNEDITABLE_COLS (list) – May not be given if Column is used. Use editable=False in the TableColumn declaration instead. A list of column numbers for columns that should be flagged as uneditable. Not necessary if COLUMN is a TableColumns object. Note that only one of EDITABLE_COLS and UNEDITABLE_COLS may be provided. If neither are provided, then no columns will be editable.

  • CHECKABLE_COLS (list) – May not be given if Column is used. Use checkable=True in the TableColumn declaration instead. A list of column numbers for columns that should be flagged as user checkable.

  • NO_DATA_CHANGED (object) – A flag that can be returned from _setData to indicate that setting the data succeeded, but that there’s no need to emit a dataChanged signal.

COLUMN = None
Column = None
EDITABLE_COLS = <object object>
UNEDITABLE_COLS = <object object>
CHECKABLE_COLS = ()
ROW_CLASS = None
ROW_LIST_OFFSET = 0
SHOW_ROW_NUMBERS = False
NO_DATA_CHANGED = <object object>
__init__(parent=None)
reset()

Remove all data from the model

columnCount(parent=None)
rowCount(parent=None)
property rows

Iterate over all rows in the model. If any data is changed, call rowChanged() method with the row’s 0-indexed number to update the view.

rowChanged(row_number)

Call this method when a specific row object has been modified. Will cause the view to redraw that row.

Parameters

row_number (int) – 0-indexed row number in the model. Corresponds to the index in the “.rows” iterator.

columnChanged(col_number)

Call this method when a specific column object has been modified. Will cause the view to redraw that column.

Parameters

col_number (int) – 0-indexed column number in the model.

loadData(rows)

Load data into the table and replace all existing data.

Parameters

rows (list) – A list of ROW_CLASS objects

appendRow(*args, **kwargs)

Add a row to the table. All arguments are passed to ROW_CLASS initialization.

Returns

The row number of the new row

Return type

int

appendRowObjects(rows)

Add rows to the table.

Parameters

rows (ROW_CLASS) – Row objects to add to the table.

appendRowObject(row)

Add a row to the table.

Parameters

row (ROW_CLASS) – Row object to add to the table.

Returns

The row number of the new row

Return type

int

removeRows(row, count, parent=None)
removeRowsByRowNumbers(rows)

Remove the given rows from the model, specified by row number, 0-indexed.

removeRowsByIndices(indices)

Remove all rows from the model specified by the given QModelIndex items.

headerData(section, orientation, role=ItemDataRole.DisplayRole)

Provide column headers, and optionally column tooltips and row numbers.

See Qt documentation for an explanation of arguments and return value

flags(index)

See Qt documentation for an method documentation.

setData(index, value, role=ItemDataRole.EditRole)

Set data for the specified index and role. Whenever possible, sub- classes should redefine _setData rather than this method.

See Qt documentation for an explanation of arguments and return value.

formatFloat(value, role, digits, fmt='')

Format floating point values for display or sorting. If role is Qt.DisplayRole, then value will be returned as a string with the specified formatting. All other role values are assumed to be a sorting role and value will be returned unchanged.

Parameters

  • value (float) – The floating point value to format

  • role (int) – The Qt data role

  • digits (int) – The number of digits to include after the decimal point for Qt.DisplayRole

  • fmt (str) – Additional floating point formatting options

Returns

The formatted or unmodified value

Return type

str or float

af2SettingsGetValue()

This function adds support for the settings mixin. It allows to save table cell values in case this table is included in the settings panel. Returns list of rows if table model is of RowBasedTableModel class type.

Returns

list of rows in tbe table’s model.

Return type

list or None

af2SettingsSetValue(value)

This function adds support for the settings mixin. It allows to set table cell values when this table is included in the settings panel.

Parameters

value (list) – settings value, which is a list of row data here.

replaceRows(new_rows)

Replace the contents of the model with the contents of the given list. The change will be presented to the view as a series of row insertions and deletions rather than as a model reset. This allows the view to properly update table selections and scroll bar position. This method may only be used if:

  • the ROW_CLASS objects can be compared using < and ==

  • the contents of the model (i.e. self._rows) are sorted in ascending order

  • the contents of new_rows are sorted in ascending order

This method is primarily intended for use when the table contains rows based on project table rows. On every project change, the project table can be reread and used to generate new_list and this method can then properly update the model.

Parameters

new_rows (list) – A list of ROW_CLASS objects

class schrodinger.ui.qt.table_helper.RowBasedTableModel(parent=None)

Bases: schrodinger.ui.qt.table_helper.RowBasedModelMixin, PyQt6.QtCore.QAbstractTableModel

class schrodinger.ui.qt.table_helper.RowBasedListModel(parent=None)

Bases: schrodinger.ui.qt.table_helper.RowBasedModelMixin, PyQt6.QtCore.QAbstractTableModel

A model class for use with QtWidgets.QListView views. The model has no headers and only one column. Note that the Column class variable is not needed.

columnCount(self, parent: QModelIndex = QModelIndex()) → int
headerData(section, orientation, role=ItemDataRole.DisplayRole)

Provide column headers, and optionally column tooltips and row numbers.

See Qt documentation for an explanation of arguments and return value

index(self, row: int, column: int, parent: QModelIndex = QModelIndex()) → QModelIndex
class schrodinger.ui.qt.table_helper.PythonSortProxyModel(parent=None)

Bases: PyQt6.QtCore.QSortFilterProxyModel

A sorting proxy model that uses Python (rather than C++) to compare values. This allows Python lists, tuples, and custom classes to be properly sorted.

Variables

  • SORT_ROLE (int) – If specified in a subclass, this value will be used as the sort role. Otherwise, Qt defaults to Qt.DisplayRole.

  • DYNAMIC_SORT_FILTER (bool) – If specified in a subclass, this value will be used as the dynamic sorting and filtering setting (see QtCore.QSortFilterProxyModel.setDynamicSortFilter). Otherwise, Qt defaults to False in Qt4 and True in Qt5.

SORT_ROLE = None
DYNAMIC_SORT_FILTER = None
__init__(parent=None)
lessThan(left, right)

Comparison method for sorting rows and columns. Handle special case in which one or more sort data values is None by evaluating it as less than every other value.

Parameters

  • left (QtCore.QModelIndex) – table cell index

  • right (QtCore.QModelIndex) – table cell index

See Qt documentation for full method documentation.

class schrodinger.ui.qt.table_helper.SampleDataTableViewMixin(parent=None, sample_data=None)

Bases: object

A table view mixin that uses sample data to properly size columns. Additionally, the table size hint will attempt to display the full width of the table.

Variables

  • SAMPLE_DATA (dict) – A dictionary of {column number: sample string}. Any columns that do not appear in this dictionary will not be resized. Can be set by passing sample_data to __init__ or by calling setSampleData after instantiation.

  • MARGIN (int) – The additional width to add to each column included in SAMPLE_DATA

MARGIN = 20
__init__(parent=None, sample_data=None)
SAMPLE_DATA = {}
setModel(model)

After setting the model, resize the columns using SAMPLE_DATA and the header data provided by the model

See Qt documentation for an explanation of arguments

setSampleData(new_sample_data)

Sets SAMPLE_DATA to new_sample_data and updates column widths if model is set.

Parameters

new_sample_data (dict) – The new sample data

sizeHintForColumn(col_num)

Provide a size hint for the specified column using SAMPLE_DATA. Note that this method does not take header width into account as the header width is already accounted for in resizeColumnToContents.

See Qt documentation for an explanation of arguments and return value

sizeHint()

Provide a size hint that requests the full width of the table.

See Qt documentation for an explanation of arguments and return value

class schrodinger.ui.qt.table_helper.SampleDataTableView(parent=None, sample_data=None)

Bases: schrodinger.ui.qt.table_helper.SampleDataTableViewMixin, schrodinger.ui.qt.swidgets.STableView

See SampleDataTableViewMixin for features.

class schrodinger.ui.qt.table_helper.UserRolesEnumMeta(cls, bases, classdict, offset=None, step_size=None, **kwds)

Bases: enum.EnumType

The metaclass for UserRolesEnum. See UserRolesEnum for documentation.

class schrodinger.ui.qt.table_helper.Column(title=None, tooltip=None, align=None, editable=False, checkable=False)

Bases: object

A table column. This class is intended to be used in the TableColumns enum.

__init__(title=None, tooltip=None, align=None, editable=False, checkable=False)
Parameters

  • title (str) – The column title to display in the header.

  • tooltip (str) – The tooltip to display when the user hovers over the column header.

  • align (int) – The alignment for cells in the column. If not given, Qt defaults to left alignment.

  • editable (bool) – Whether cells in the column are editable. (I.e., whether cells should be given the Qt.ItemIsEditable flag.)

  • checkable (bool) – Whether cells in the column can be checked or unchecked without opening an editor. (I.e., whether cells should be given the Qt.ItemIsUserCheckable flag.) Note that cells in checkable columns should provide data for Qt.CheckStateRole.

schrodinger.ui.qt.table_helper.connect_signals(model, signal_map)

Connect all specified signals

Parameters

  • model (QtCore.Qbject) – The model to connect signals from

  • signal_map (dict) – A dictionary of {signal name (str): slot}.

schrodinger.ui.qt.table_helper.disconnect_signals(model, signal_map)

Disconnect all specified signals

Parameters

  • model (QtCore.Qbject) – The model to disconnect signals from

  • signal_map (dict) – A dictionary of {signal name (str): slot}.

schrodinger.ui.qt.table_helper.PtRowBasedCustomRole

alias of schrodinger.ui.qt.table_helper.CustomRole

class schrodinger.ui.qt.table_helper.Include(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)

Bases: enum.IntEnum

Only = 1
Toggle = 2
Range = 3
class schrodinger.ui.qt.table_helper.PtRowBasedTableModel

Bases: schrodinger.ui.qt.appframework2.maestro_callback.MaestroCallbackMixin, schrodinger.ui.qt.table_helper.RowBasedTableModel

A table model that keeps track of the inclusion state of an entry between the Project Table and the table’s inclusion checkboxes. The inclusion lock state is also respected by not allowing the user to uncheck a inclusion locked entry.

Note: An ‘Inclusion’ column must be defined by the Column class as well as an ‘EntryId’ CustomRole to utilize this class. Moreover, the row object class for the PtRowBasedTableModel subclass should define an entry_id attribute, otherwise subclass needs to define a data method for PtRowBasedCustomRole.EntryId.

Lastly, if the subclass of PtRowBasedTableModel requires any additional custom roles, it should use a UserRolesEnum that inherits from the above PtRowBasedCustomRole to avoid the risk of role number conflicts.

__init__()
onInclusionChanged()

Called when the workspace’s inclusion changes. The emitted dataChanged() signal forces the view to update each entry’s inclusion state from the workspace by calling data().

onProjectClosed()

Reset the table when a project is closed to avoid invalid data.

onProjectUpdated()

Reset the PT instance.

data(index, role=ItemDataRole.DisplayRole)

If the inclusion state is requested, the data will be retrieved from the PT. The inclusion states are not stored in the table to avoid updating in two locations.

See table_helper.RowBasedTableModel.data() for documentation on arguments and return value.

setData(index, value, role=ItemDataRole.EditRole)

If the inclusion state is updated, the data will be set to the PT.

See table_helper.RowBasedTableModel.data() for documentation on arguments and return value.

class schrodinger.ui.qt.table_helper.CheckableHeaderView(orientation=Orientation.Horizontal, *args, **kwargs)

Bases: PyQt6.QtWidgets.QHeaderView

Checkable custom header view for including checkboxes in table headers.

Variables

columnStateChanged – emits the column header index and whether it is checked/unchecked when it is clicked

Example:

>>> from schrodinger.ui.qt.mapperwidgets import plptable
>>> header = CheckableHeaderView(parent=None)
>>> table_widget = plptable.PLPTableWidget()
>>> header.setCheckableColumns([1, 2, 3])
>>> table_widget.view.setHorizontalHeader(header)
columnStateChanged

pyqtSignal(*types, name: str = …, revision: int = …, arguments: Sequence = …) -> PYQT_SIGNAL

types is normally a sequence of individual types. Each type is either a type object or a string that is the name of a C++ type. Alternatively each type could itself be a sequence of types each describing a different overloaded signal. name is the optional C++ name of the signal. If it is not specified then the name of the class attribute that is bound to the signal is used. revision is the optional revision of the signal that is exported to QML. If it is not specified then 0 is used. arguments is the optional sequence of the names of the signal’s arguments.

__init__(orientation=Orientation.Horizontal, *args, **kwargs)
setCheckableColumns(indices: list[int])

Set the checkable columns to the given indices.

Parameters

indices – indices to include checkboxes for

removeAllCheckableColumns()

Remove all checkable columns.

paintSection(self, painter: QPainter, rect: QRect, logicalIndex: int)
mousePressEvent(self, e: QMouseEvent)