Package schrodinger :: Package test :: Package stu :: Package outcomes

Package outcomes

Module containing STU workups. New workups need to be added here.

See https://stu.schrodinger.com/doc/workups for up to date documentation, auto-generated from the latest versions of the workups (only valid for the most recent branch).

Submodules

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schrodinger.test.stu.outcomes.compareDesmondSystems
schrodinger.test.stu.outcomes.compareDesmondSystems': script used to compare two desmond systems
schrodinger.test.stu.outcomes.compare_csv
schrodinger.test.stu.outcomes.compare_csv': See compare_csv docstring
schrodinger.test.stu.outcomes.correlate_to_reference_file
schrodinger.test.stu.outcomes.correlate_workup
schrodinger.test.stu.outcomes.correlate_workup'
schrodinger.test.stu.outcomes.custom: Workups that are specific to one (or maybe a couple) or tests should live in this directory.
- schrodinger.test.stu.outcomes.custom.asl_count
- schrodinger.test.stu.outcomes.custom.demo_custom_workup
- schrodinger.test.stu.outcomes.custom.glide
- schrodinger.test.stu.outcomes.custom.jaguar: workups used only in Jaguar.
- schrodinger.test.stu.outcomes.custom.perceptual_diff: Contains the workup is perceptual_diff
- schrodinger.test.stu.outcomes.custom.reactiq: Special workups for testing Reactiq.
schrodinger.test.stu.outcomes.desmond_workups: Desmond workup techniques, all based on actual numerical results.
schrodinger.test.stu.outcomes.failures: STU workup exception types.
schrodinger.test.stu.outcomes.jaguar: Provides the jaguarDiff workup method for use with jaguar and qsite jobs.
schrodinger.test.stu.outcomes.job_status: Contains workups relating to the exit status of the job.
schrodinger.test.stu.outcomes.prime_workups
schrodinger.test.stu.outcomes.smarts_check
schrodinger.test.stu.outcomes.smarts_check'
schrodinger.test.stu.outcomes.standard_workups: Contains the class _PropertyCompare, and several functions to perform test workups.
schrodinger.test.stu.outcomes.structure_comparisons: Provides functions for comparing structure files.

Variables

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__package__ = 'schrodinger.test.stu.outcomes'