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())
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())