compare_vibinfos¶
- psi4.driver.qcdb.vib.compare_vibinfos(expected, computed, tol, label, verbose=1, forgive=None, required=None, toldict=None)[source]¶
Returns True if two dictionaries of vibration Datum objects are equivalent within a tolerance.
- Parameters
expected (
Dict[str,Datum]) – Reference value against which computed is compared.computed (
Dict[str,Datum]) – Input value to compare against expected. Must contain all fields of expected.tol (
float) – Absolute tolerance.label (
str) – Label for passed and error messages.verbose (
int) – Control printing.forgive (
Optional[List]) – Keys in top level which may change between expected and computed without triggering failure.required (
Optional[List]) – Keys in top level which must be present in computed. (“omega” recc. for vibs.)toldict (
Optional[Dict[str,float]]) – Tolerances for specific keys.
- Returns
allclose – Returns True if expected and computed are equal within tolerance; False otherwise.
- Return type
