schrodinger.application.jaguar.macro_pka_validation module¶
Macro-pKa keywords input validation and specialized Exceptions
- schrodinger.application.jaguar.macro_pka_validation.check_conflicts(kwd, all_keywords)[source]¶
Raise Exception if keyword value is inconsistent with the other keywords. This is done in an adhoc case-by-case way.
- Parameters
kwd (WorkflowKeyword) – reference Macro-pKa keyword
all_keywords (dict of WorkflowKeyword instances indexed by name) – all the other Macro-pKa keywords set
:raise WorkflowKeywordConflictError if conflicting values found. :return: True otherwise