schrodinger.ui.qt.forcefield.metals_forcefield_annotations_gui_dir.widgets.atom_table module

Table component for displaying metal-atom analysis results.

class schrodinger.ui.qt.forcefield.metals_forcefield_annotations_gui_dir.widgets.atom_table.AtomTableSpec(*args, _param_type=<object object>, **kwargs)

Bases: TableSpec

rowNum = <schrodinger.ui.qt.mapperwidgets.plptable.PLPColumn object>

structure = <schrodinger.ui.qt.mapperwidgets.plptable.ParamColumn object>

atom_id = <schrodinger.ui.qt.mapperwidgets.plptable.ParamColumn object>

atomIdDisplay(row)

atomIdHtml(row)

unpaired_e = <schrodinger.ui.qt.mapperwidgets.plptable.ParamColumn object>

unpairedEDisplay(row)

unpairedEEditRole(row)

unpairedEChoices(row)

unpairedESetData(row, value)

unpairedEFlags(all_rows, row)

status = <schrodinger.ui.qt.mapperwidgets.plptable.ParamColumn object>

statusDisplay(row)

statusHtml(row)

status_note = <schrodinger.ui.qt.mapperwidgets.plptable.ParamColumn object>

statusNoteDisplay(row)

statusNoteHtml(row)

columnsChanged

A pyqtSignal emitted by instances of the class.

columnsReplaced

A pyqtSignal emitted by instances of the class.

class schrodinger.ui.qt.forcefield.metals_forcefield_annotations_gui_dir.widgets.atom_table.SupportedAtomsTableSpec(*args, _param_type=<object object>, **kwargs)

Bases: AtomTableSpec

Spec for the supported-atoms table: every row can be excluded.

statusNoteIcon(row)

statusNoteTooltip(row)

columnsChanged

A pyqtSignal emitted by instances of the class.

columnsReplaced

A pyqtSignal emitted by instances of the class.

class schrodinger.ui.qt.forcefield.metals_forcefield_annotations_gui_dir.widgets.atom_table.UnsupportedAtomsTableSpec(*args, _param_type=<object object>, **kwargs)

Bases: AtomTableSpec

Spec for the unsupported-atoms table: only restorable rows can be included.

statusNoteIcon(row)

statusNoteTooltip(row)

columnsChanged

A pyqtSignal emitted by instances of the class.

columnsReplaced

A pyqtSignal emitted by instances of the class.

class schrodinger.ui.qt.forcefield.metals_forcefield_annotations_gui_dir.widgets.atom_table.AtomTable(parent=None)

Bases: PLPTableWidget

Base table of metal-atom analysis results (one row per atom).

SPEC_CLASS

alias of AtomTableSpec

__init__(parent=None)

Parameters:

• spec (TableSpec) – Table specification. Will be ignored if autospec is True.

• autospec (bool) – Whether to automatically generate the table specification from the PLP item fields.

• plp (ParamListParam) – ParamListParam containing data. It is more common to set the plp using mappers.

• view (QtWidgets.QTableView) – Custom table view instance. If None, an instance of table_helper.SampleDataTableView will be created.

class schrodinger.ui.qt.forcefield.metals_forcefield_annotations_gui_dir.widgets.atom_table.SupportedAtomsTableWidget(parent=None)

Bases: AtomTable

Table of supported metal atoms; each row can be excluded.

Variables:

excludeRequested – Signal emitted with the row when the exclude icon is clicked.

SPEC_CLASS

alias of SupportedAtomsTableSpec

excludeRequested

A pyqtSignal emitted by instances of the class.

__init__(parent=None)

Parameters:

• spec (TableSpec) – Table specification. Will be ignored if autospec is True.

• autospec (bool) – Whether to automatically generate the table specification from the PLP item fields.

• plp (ParamListParam) – ParamListParam containing data. It is more common to set the plp using mappers.

• view (QtWidgets.QTableView) – Custom table view instance. If None, an instance of table_helper.SampleDataTableView will be created.

class schrodinger.ui.qt.forcefield.metals_forcefield_annotations_gui_dir.widgets.atom_table.UnsupportedAtomsTableWidget(parent=None)

Bases: AtomTable

Table of unsupported, not-analyzed, or excluded atoms.

Note: Rows that can be restored or (re-)analyzed expose an include icon.

Variables:

includeRequested – Signal emitted with the row when the include icon is clicked.

SPEC_CLASS

alias of UnsupportedAtomsTableSpec

includeRequested

A pyqtSignal emitted by instances of the class.