paramagpy.metal.Metal.fast_rdc

Metal.fast_rdc(vecarray, gammaProdArray)[source]

A vectorised version of paramagpy.metal.Metal.rdc() method.

This is generally used for speed in fitting RDC data

Parameters
  • vecarray (array with shape (n,3)) – array of internuclear vectors in meters

  • gammaProdArray (array with shape (n,1)) – the products of gyromagnetic ratios of spins A and B where each has units of rad/s/T

Returns

rdc_array – the RDC values in Hz

Return type

array with shape (n,1)