def do_check_committors(self, A, B): rcalc = RateCalculation(self.db.transition_states(), A, B) rcalc.compute_rates_and_committors() committors = rcalc.get_committors() rla = RatesLinalg(self.db.transition_states(), A, B) cla = rla.compute_committors() for m, qla in cla.items(): self.assertAlmostEqual(committors[m], qla, 7)
def do_check_committors(self, A, B): rcalc = RateCalculation(self.db.transition_states(), A, B) rcalc.compute_rates_and_committors() committors = rcalc.get_committors() rla = RatesLinalg(self.db.transition_states(), A, B) cla = rla.compute_committors() for m, qla in cla.iteritems(): self.assertAlmostEqual(committors[m], qla, 7)