예제 #1
0
 def __call__(self, f_calc, compute_gradients):
     self.refine_sad_object.set_f_calc(f_calc=f_calc)
     rso = self.refine_sad_object
     target_work = rso.functional(use_working_set=True)
     da_db, daa_dbb_dab = rso.derivatives(curvs=True)
     target_test = rso.functional(use_working_set=False)
     return xray.targets_common_results(target_per_reflection=flex.double(),
                                        target_work=target_work,
                                        target_test=target_test,
                                        gradients_work=da_db.data(),
                                        hessians_work=daa_dbb_dab.data())
예제 #2
0
 def __call__(self, f_calc, compute_gradients):
   self.refine_sad_object.set_f_calc(f_calc=f_calc)
   rso = self.refine_sad_object
   target_work = rso.functional(use_working_set=True)
   da_db, daa_dbb_dab = rso.derivatives(curvs=True)
   target_test = rso.functional(use_working_set=False)
   return xray.targets_common_results(
     target_per_reflection=flex.double(),
     target_work=target_work,
     target_test=target_test,
     gradients_work=da_db.data(),
     hessians_work=daa_dbb_dab.data())