function [HKL, t, is_event, resize_me] = sqw_phonons_template_hkl(x,y,z,t) % sqw_phonons_template_hkl: code to analyze [xyzt] and prepare a list of HKL locations % can work in the following logic: % event 4D: [ x y z t ] as vectors, same length, same orientation -> ResLibCal... % kpath 2D: [ x y z ] as vectors, same length, same orientation, [ t ] not same length or orientation % map 3D: [ x y z ] are all 3D arrays, and [ t ] gives 4D as a vector % map 4D: any other choice. Get unique values, and build ndgrid ax = {x y z t}; % check for vectors: 0 or 1 for each axis check_vector = cellfun(@(c)(~isempty(c) && length(c) == numel(c)), ax); % check number of elements: would be equal for 3D grids (xyz) or 4D (xyzt) check_numel = cellfun(@numel, ax); % check orientation (axis rank) for vectors. 0 for non vectors check_orient = zeros(1,4); index = find(check_vector); check_orient(index) = cellfun(@(c)find(size(c)==numel(c)), ax(index)); HKL = []; is_event = false; resize_me = []; if all(check_vector) && all(check_numel == check_numel(1)) && all(check_orient == check_orient(1)) % event 4D: [ x y z t ] as vectors, same length, same orientation is_event = true; elseif all(check_vector(1:4)) && all(check_numel(1:3) == check_numel(1)) && all(check_orient(1:3) == check_orient(1)) % kpath 2D: [ x y z ] as vectors, same length, same orientation, [ t ] vector, not same length or orientation % this is the SAME test as event 4D, but with xyz only elseif all(cellfun(@ndims, ax) == 4) && all(check_numel == check_numel(1)) % (X,Y,Z,T) are all 4D, same numel x=x(:,:,:,1); y=y(:,:,:,1); z=z(:,:,:,1); t=t(1,1,1,:); resize_me = size(x); elseif all(cellfun(@ndims, ax(1:3)) == 3) && all(check_numel(1:3) == check_numel(1)) % (X,Y,Z) are all 3D % 3D HKL data sets plus energy axis. NOP. resize_me = size(x); else % map 4D: any other choice % any(~check_vector) || any(check_numel ~= check_numel(1)) || any(check_orient ~= check_orient(1)) x=unique(x); y=unique(y); z=unique(z); [x,y,z] = ndgrid(x,y,z); resize_me = size(x); end clear ax HKL = [ x(:) y(:) z(:) ]; % a clean array (Nx3) of HKL coordinates diff_HKL = diff(HKL,1,1); % difference along rows index = find(sum(diff_HKL.^2,2) == 0); HKL(index, :) = []; % remove consecutive duplicates at same HKL x(index)= []; y(index)= []; z(index) = []; t = unique(t); clear diff_HKL if numel(resize_me) == 3 resize_me = [ resize_me numel(t) ]; end % now we compute FREQ (and POLAR when possible) at HKL POLAR=[]; T=0; Amplitude=1; Gamma=0.01; % defaults