_get_all_component_target_atom_ids uses stl set and is cdef
_reset_out_array becomes nogil  and Segment_Manager a cdef class
pass observed and calculated shifts into calculators nogil
CDSSharedVaetorFloat gets a nogil size function
updating force factor and energy calculators  with chemical shifts is
now mostly nogil
_calc_factors is now nogil
components dict now exported to shift calculators as stl map

note this is still wrapped into a python map for interim portability
while the force calculators components dict is updated in the same vein

not some other minor changes were made as well
unify component marshalling code so subclasses use super class code
ATOM and SIMU components are now marshaled via a STL map in  all cases