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
