nextPYP supports the use of pre-defined sequences of blocks, called Workflows.

The program comes with workflows for the Single-particle tutorial, the Tomography tutorial and the Classification tutorial.

1. Import a workflow

  • Go the Dashboard, create a new or open an existing project, then click on Import Workflow

  • Choose a workflow from the list and click Import

  • A form will appear asking for any required parameters. This typically includes the location of the raw data (and associated files) and the Computing resources to use

  • Click Save, Run, and Start Run for N blocks (where N is the number of blocks in the workflow)

You can inspect the results of the Workflow by navigating into each block.

2. Defining custom workflows

Workflows are defined using .toml files. Here is an example:

name = "Test workflow"
description = """\
    Here goes the workflow description.

# comments here are useful to share info with other workflow authors looking at this file
blockId = "sp-rawdata"
name = "Raw Data"

data_path = { ask = true }
scope_pixel = 0.66
scope_voltage = 300

blockId = "sp-preprocessing"
name = "Pre-processing"
parent = "rawdata"

detect_rad = 75
detect_method = "all"
slurm_tasks = 7
slurm_memory = 14


You can use the workflows included with nextPYP as a starting point to create your own workflows.

The location of the .toml files must be specified in nextPYP’s configuration file, using the entry workflowDirs:

workflowDirs = ["/path/to/workflows"]