schrodinger.application.jaguar.reactiq_keywords module¶
This module documents all possible Reactiq input keywords.
-
class
schrodinger.application.jaguar.reactiq_keywords.
Choices
(*choices)¶ Bases:
object
-
class
schrodinger.application.jaguar.reactiq_keywords.
ReactiqKeyword
(name, valid_type, default, description)¶ Bases:
object
-
default
¶
-
description
¶
-
isNonDefault
()¶ Return True if keyword user-value differs from default value. False otherwise.
Return type: bool
-
name
¶
-
reset
()¶ Reset user-value to NoneType.
-
setValue
(value)¶ Set to user-defined value.
-
valid_type
¶
-
validate
()¶ Raise MultipleInvalid or ReactiqKeywordException if keyword name/value don’t conform to the schema. (i.e. type check)
-
value
¶ Return user-set value. If None, return default value.
-
-
schrodinger.application.jaguar.reactiq_keywords.
generate_all_keywords
()¶
-
schrodinger.application.jaguar.reactiq_keywords.
keyword
(name, valid_type, default, description)¶ Convenience function to create a dictionary of ReactiqKeyword’s