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