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2015-3 Schrodinger Python API
Package schrodinger
:: Package test
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Package test
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schrodinger.test.build_test_structures
:
Some convenience functions to quickly and reproducibly create structures for testing.
schrodinger.test.canvas_utils
:
Container for common test functions used in Canvas tests
schrodinger.test.custom_assertions
:
Contains custom assertions for use with unittest and Schrodinger data structures.
schrodinger.test.custom_test_classes
:
Custom test classes
schrodinger.test.darwinconsole
schrodinger.test.decorate_fflag
:
Enable or disable a feature flag in a specific situation.
schrodinger.test.get_widget_image
schrodinger.test.ioredirect
schrodinger.test.performance
schrodinger.test.performance.api
:
Base class for performance tests.
schrodinger.test.performance.general
:
General tools for performance tests.
schrodinger.test.performance.reporter
:
Basic client-side components for performance testing.
schrodinger.test.structurecheck
:
Custom assertions for "checking" structures.
schrodinger.test.stu
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
:
script used to compare two desmond systems
schrodinger.test.stu.outcomes.compare_csv
:
See compare_csv docstring
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.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.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.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.process_management
:
Manage processes started by STU.
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.
schrodinger.test.test_BondRotator
schrodinger.test.test_markers
:
Container for test marker functions.
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2015-3 Schrodinger Python API
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