schrodinger.application.pathfinder.render module¶
Functions and classes for rendering a Route as an image.
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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)¶ 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.
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__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)¶ 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.
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renderToFile
(route, filename)¶ Render a Route and save the image to a file.
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schrodinger.application.pathfinder.render.
mol_to_qpicture
(mol)¶ Generate a QPicture from an RDKit Mol.
Parameters: mol – molecule to render Return type: QPicture