schrodinger.ui.qt.standard.rdmol_image_widget module¶

class schrodinger.ui.qt.standard.rdmol_image_widget.RDMolImageData(name: str, rdmol: ~rdkit.Chem.rdchem.Mol, atom_idcs: tuple[int, ...] = <factory>, bond_idcs: tuple[int, ...] = <factory>)¶

Bases: object

Data shown by an RDMolImageWidget: a name label plus a 2D mol image with optional atom and bond highlights.

name: str¶

rdmol: Mol¶

atom_idcs: tuple[int, ...]¶

bond_idcs: tuple[int, ...]¶

__init__(name: str, rdmol: ~rdkit.Chem.rdchem.Mol, atom_idcs: tuple[int, ...] = <factory>, bond_idcs: tuple[int, ...] = <factory>) → None¶

class schrodinger.ui.qt.standard.rdmol_image_widget.RDMolImageWidget(*args, variant: enum.StrEnum | None = None, **kwargs)¶

Bases: BaseWidget

Widget that shows a name label above the 2D image of a molecule with optional atom and bond highlights.

MOL_IMAGE_SIZE = (200, 200)¶

HIGHLIGHT_RGB = (0, 255, 0)¶

initSetUp()¶

Creates widget from ui and stores it ui_widget.

Suggested subclass use: create and initialize subwidgets, and connect signals.

initLayOut()¶

Create a vertical layout for the widget (widget_layout) and populate it with two vertical sub-layouts: main_layout and bottom_layout.

If the user has specified the ui data member, insert the resultant ui_widget into main_layout.

If the widget already has a layout defined, this method will produce a warning (but not a traceback). main_layout and bottom_layout will be inserted into the existing widget layout, which will not be the same as widget_layout. It is therefore recommended that this mixin is used only with widgets that do not already have a layout.

Suggested subclass use: create, initialize, and populate layouts.

setImageDelegate(delegate: RdMolDelegate)¶

setImageData(data: RDMolImageData)¶