schrodinger.application.pathfinder.render module

Functions and classes for rendering a Route as an image.

class schrodinger.application.pathfinder.render.RouteRenderer(plus_size=50, arrow_length=250, arrowhead_size=25, label_padding=25, label_font=('helvetica', 30), plus_font=('helvetica', 48), max_scale=0.3, mol_padding=50, scale=0.375)[source]

Bases: object

A class for rendering a Route as an image.

Note: this class only supports “specific routes”, for which all nodes have a ‘mol’ attribute. Generic routes, in which nodes might have only a reagent class, are not supported yet.

__init__(plus_size=50, arrow_length=250, arrowhead_size=25, label_padding=25, label_font=('helvetica', 30), plus_font=('helvetica', 48), max_scale=0.3, mol_padding=50, scale=0.375)[source]

Configure the RouteRenderer with various optional parameters controlling the layout of the route. All sizes are in pixels.

Parameters

plus_size – width (including padding) taken by the plus signs.

renderToFile(route, filename)[source]

Render a Route and save the image to a file.

schrodinger.application.pathfinder.render.mol_to_qpicture(mol)[source]

Generate a QPicture from an RDKit Mol.

Parameters

mol – molecule to render

Return type

QPicture