schrodinger.application.transforms.template.workflow module

class schrodinger.application.transforms.template.workflow.CarbonCountingWorkflow(input_file: str, output_file: str)

Bases: apache_beam.transforms.ptransform.PTransform

A simple workflow that reads in a structure file and counts the number of carbon atoms in the structures. The total number of carbon atoms is then written to an output file.

__init__(input_file: str, output_file: str)

expand(pipeline)