def __init__(self, unit_cell, sites_frac, target_map, log=None): adopt_init_args(self, locals()) self.target = maptbx.map_sum_at_sites_frac(map_data=target_map, sites_frac=sites_frac) self.sites_frac_best = None if (log): print >> log, "Target (start):", self.target
def __init__(self, unit_cell, sites_frac, target_map, log=None): adopt_init_args(self, locals()) self.target = maptbx.map_sum_at_sites_frac( map_data = target_map, sites_frac = sites_frac) self.sites_frac_best = None if(log): print >> log, "Target (start):", self.target
def update(self, sites_cart): sites_frac = self.unit_cell.fractionalize(sites_cart) t = maptbx.map_sum_at_sites_frac(map_data=self.target_map, sites_frac=sites_frac) if (t > self.target): self.target = t self.sites_frac_best = sites_frac.deep_copy() if (self.log): print >> self.log, "Target:", self.target
def update(self, sites_cart): sites_frac = self.unit_cell.fractionalize(sites_cart) t = maptbx.map_sum_at_sites_frac( map_data = self.target_map, sites_frac = sites_frac) if(t>self.target): self.target = t self.sites_frac_best = sites_frac.deep_copy() if(self.log): print >> self.log, "Target:", self.target