def chirality_deviations(self): if (self.n_chirality_proxies is not None): chirality_deltas = geometry_restraints.chirality_deltas( sites_cart=self.sites_cart, proxies=self.chirality_proxies) c_sq = chirality_deltas * chirality_deltas c_ave = math.sqrt(flex.mean_default(c_sq, 0)) c_max = math.sqrt(flex.max_default(c_sq, 0)) c_min = math.sqrt(flex.min_default(c_sq, 0)) return c_min, c_max, c_ave
def chirality_deviations(self): if(self.n_chirality_proxies is not None): chirality_deltas = geometry_restraints.chirality_deltas( sites_cart = self.sites_cart, proxies = self.chirality_proxies) c_sq = chirality_deltas * chirality_deltas c_ave = math.sqrt(flex.mean_default(c_sq, 0)) c_max = math.sqrt(flex.max_default(c_sq, 0)) c_min = math.sqrt(flex.min_default(c_sq, 0)) return c_min, c_max, c_ave