Runs a simulation of a user-specified pulse sequence for each orientation found in the user-specified grid and returns the corresponding angles, integration weights, tessellation triangles and sequence results (as a cell array of whatever it is that the pulse sequence returns).

Syntax

    [alphas,betas,gammas,weights,triangles,fid]=...


Arguments

 pulse_sequence       -  pulse sequence function handle. See the
experiments directory for the list of
pulse sequences that ship with Spinach.

parameters.spins     -  a cell array giving the spins that the
pulse sequence works on, in the order
of channels, e.g. {'1H','13C'}

parameters.offset    -  a cell array giving transmitter offsets
in Hz on each of the spins listed in
parameters.spins

parameters.grid      - powder averaging grid

parameters.rframes   - rotating frame specification, e.g.
{{'13C',2},{'14N,3}} requests second
order rotating frame transformation
with respect to carbon-13 and third
order rotating frame transformation
with respect to nitrogen-14. When
this option is used, the assumptions
on the respective spins should be
laboratory frame.

parameters.needs   - a cell array of strings specifying additional
information required by the sequence:

'zeeman_op' - Zeeman part of the Hamiltonian
in the laboratory frame, to be placed into
parameters.hseeman and sent to pulse sequence

'aniso_eq' - thermal equilibrium is recomputed
using the full anisotropic Hamiltonian at the
current orientation, and sent to the pulse
sequence in parameters.rho0 subfield

parameters.*       - additional subfields may be required by your
pulse sequence - check its documentation page

assumptions     -  context-specific assumptions ('nmr', 'epr',
'labframe', etc.) - see the pulse sequence
header for information on this setting.


Outputs

           alphas  -  an array of alpha Euler angles from the
spherical grid

betas  -  an array of beta Euler angles from the
spherical grid

gammas  -  an array of gamma Euler angles from the
spherical grid

weights  -  an array of summation weights appropri-
ate for the corresponding points of the
spherical grid

answer  -  a cell array of whatever it is that the
pulse sequence function returns at each
point in the spherical grid


Examples

This context is useful whenever the orientational ditribution of some property needs to be computed. A good example is:

spin_chemistry/singlet_yield_anisotropy_2.m - singlet yield anisotropy calculation for a model radical pair.

Notes

1. Arbitrary order rotating frame transformation is supported, including infinite order. See the header of rotframe.m for further information.
2. The function supports parallel processing via Matlab's Distributed Computing Toolbox - different system orientations are evaluated on different labs.