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2014-2 Schrodinger Python API
Package schrodinger
::
Package test
:: Package stu
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Package stu
Submodules
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schrodinger.test.stu.base_executable
:
Base class for STU utilities.
schrodinger.test.stu.client
:
Client for communication with STU server.
schrodinger.test.stu.common
:
Functions that are used in one or more modules.
schrodinger.test.stu.constants
:
Stores data that is used in one or more script.
schrodinger.test.stu.outcomes
:
Module containing STU workups.
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_workup
schrodinger.test.stu.outcomes.correlate_workup'
schrodinger.test.stu.outcomes.desmond
:
This is a module for use in the backend test utility's workup routine.
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.jaguarDiff
schrodinger.test.stu.outcomes.jaguarDiff'
:
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.
schrodinger.test.stu.outcomes.workup_desmond
schrodinger.test.stu.outcomes.workup_desmond'
:
A module to run workup on Desmond's system builder jobs based on a cfg file.
schrodinger.test.stu.run
:
Contains
TestJCJob
,
TestSPJob
,
TestQueue
, and
Runner
classes.
schrodinger.test.stu.sysinfo
:
Access to system information on machine, which could be Linux, Mac or Windows, and could be local or remote.
schrodinger.test.stu.testscripts
:
Contains the class
TestScript
, which provides methods to create, modify, extract and delete a test script.
schrodinger.test.stu.workup
:
Runs workups.
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