mmtbx.ncs.tst_restraints
index
/net/chevy/raid1/rwgk/dist/cctbx_project/mmtbx/ncs/tst_restraints.py

 
Modules
       
cctbx.array_family.flex
mmtbx
mmtbx.ncs

 
Functions
       
adp_iso_analytical_gradients(weight, average_power, u_isos)
um = (u1 + u2)/2
r=w*((u1-um)^2+(u2-um)^2)/um^mp
D[r,u1]
 
um = (u1 + u2 + u3)/3
r=w*((u1-um)^2+(u2-um)^2+(u3-um)^2)/um^mp
D[r,u1]
 
um = (u1 + u2 + u3 + u4)/4
r=w*((u1-um)^2+(u2-um)^2+(u3-um)^2+(u4-um)^2)/um^mp
D[r,u1]
adp_iso_finite_difference_gradients(weight, average_power, u_isos, eps=9.9999999999999995e-07)
adp_iso_residual_sum(weight, average_power, u_isos)
exercise()
exercise_adp_iso_analytical()
exercise_pair_registry_adp_iso()
exercise_pair_registry_basic()

 
Data
        Exception_expected = RuntimeError('Exception expected.',)