def planarity_deviations(self): # XXX Need update, does not respect origin_id # assert 0, "Not counting for origin_id" if (self.n_planarity_proxies is not None): planarity_deltas = geometry_restraints.planarity_deltas_rms( sites_cart=self.sites_cart, proxies=self.planarity_proxies) p_sq = planarity_deltas * planarity_deltas p_ave = math.sqrt(flex.mean_default(p_sq, 0)) p_max = math.sqrt(flex.max_default(p_sq, 0)) p_min = math.sqrt(flex.min_default(p_sq, 0)) return p_min, p_max, p_ave
def planarity_deviations(self): # XXX Need update, does not respect origin_id # assert 0, "Not counting for origin_id" if(self.n_planarity_proxies is not None): planarity_deltas = geometry_restraints.planarity_deltas_rms( sites_cart = self.sites_cart, proxies = self.planarity_proxies) p_sq = planarity_deltas * planarity_deltas p_ave = math.sqrt(flex.mean_default(p_sq, 0)) p_max = math.sqrt(flex.max_default(p_sq, 0)) p_min = math.sqrt(flex.min_default(p_sq, 0)) return p_min, p_max, p_ave