schrodinger.application.jaguar.workflow_keywords module

This module documents all machinery for workflow input keywords.

class schrodinger.application.jaguar.workflow_keywords.Choices(*choices)

Bases: object

__init__(*choices)

Initialize self. See help(type(self)) for accurate signature.

class schrodinger.application.jaguar.workflow_keywords.WorkflowKeyword(name, valid_type, default, description)

Bases: object

__init__(name, valid_type, default, description)

Parameters:

• name (string) – unique name for keyword
• valid_type (python type) – keyword type e.g. bool, int
• default (<valid_type>) – default keyword value
• description (string) – short description of what the keyword does

name

valid_type

default

description

value

Return user-set value. If None, return default value.

setValue(value)

Set to user-defined value.

reset()

Reset user-value to NoneType.

isNonDefault()

Return True if keyword user-value differs from default value. False otherwise.

Return type:bool

validate()

Raise MultipleInvalid or ReactiqKeywordException if keyword name/value don’t conform to the schema. (i.e. type check)