Package schrodinger :: Package test :: Package stu :: Package outcomes :: Package custom :: Module phase_workups

Module phase_workups

Special STU workups for testing Phase.

Functions

compare_phypo_files(check, reference, *properties, **tolerances)
Compare Phase hypothesis files.

_compare_encoded_properties(check, reference, ignored_properties)
Compares base64 properties between two .phypo hypothesis files, by first decoding the properties to account for platform differences in econding.

bool

_equal_base64_property(ct_property, st1, st2)
Returns whether the base-64 decoded property from two cts is equivalent.

Variables

[hide private]

BASE64_FAILURE_MSG = '%s: decoded base64 properties different'

__package__ = 'schrodinger.test.stu.outcomes.custom'

Function Details

[hide private]

compare_phypo_files(check, reference, *properties, **tolerances)

Compare Phase hypothesis files. This is effectively the same calls as compare_mae_files, but with the .phypo extension. Phase hypothesis properties which are Base64-encoded strings are ignored in the comparison.

_equal_base64_property(ct_property, st1, st2)

Returns whether the base-64 decoded property from two cts is equivalent. For float values embedded in any such property, values are compared to a given tolernace. If the property is not present in both cts, return False.

Parameters:

ct_property (str) - base-64 property name
st1 (structure.Structure) - structure ct
st2 (structure.Structure) - structure ct

Returns: bool

whether the properties are equal