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)

class schrodinger.application.jaguar.workflow_keywords.WorkflowKeyword(name: str, valid_type: Union[list, Type[schrodinger.application.jaguar.workflow_keywords.T], schrodinger.application.jaguar.workflow_keywords.Choices], default: schrodinger.application.jaguar.workflow_keywords.T, description: str, hidden: bool = False)

Bases: object

__init__(name: str, valid_type: Union[list, Type[schrodinger.application.jaguar.workflow_keywords.T], schrodinger.application.jaguar.workflow_keywords.Choices], default: schrodinger.application.jaguar.workflow_keywords.T, description: str, hidden: bool = False)

Parameters

• name – unique name for keyword

• valid_type – keyword type e.g. bool, int

• default – default keyword value

• description – short description of what the keyword does

• hidden – if True, don’t mention this keyword in the documentation

property name

property valid_type

property default

property description

property value

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

setValue(value)

Set to user-defined value.

Parameters

value – user-defined value (e.g. from input file)

reset()

Reset user-value to NoneType.

isNonDefault() → bool

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

validate()

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