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Commit 711eb549 authored by Laura Nervo's avatar Laura Nervo
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gtCrystSignedHKLs : check number of columns for reflection list (must be 3 or 4)

Take crystal system directly from parameters file

Signed-off-by: default avatarLaura Nervo <laura.nervo@esrf.fr>
parent 0badedfa
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......@@ -45,11 +45,8 @@ end
if ~exist('symm','var') || isempty(symm)
load parameters
spacegroup = parameters.cryst.spacegroup;
[~,crystal_system,~] = gtReadSpaceGroup(spacegroup);
% Get symmetry operators
symm = gtCrystGetSymmetryOperators(crystal_system, spacegroup);
symm = gtCrystGetSymmetryOperators(parameters.cryst.crystal_system, parameters.cryst.spacegroup);
end
if size(hkl,2) == 4
......@@ -59,6 +56,9 @@ elseif size(hkl,2) == 3
end
ncols = size(hkl,2);
if ncols > 4
gtError('gtCrystSignedHKLs:wrongSize','Something went wrong with the size of hkl list...Quitting')
end
allshkls = [];
allhklinds = [];
......
......@@ -41,9 +41,8 @@ function results = gtSymmetricReflections(cryst,energy)
% from how xop dat file is processed
[~,crystal_system,~] = gtReadSpaceGroup(cryst.spacegroup);
% Get symmetry operators
symm = gtCrystGetSymmetryOperators(crystal_system, cryst.spacegroup);
symm = gtCrystGetSymmetryOperators(cryst.crystal_system, cryst.spacegroup);
hkltypes_used = double(cryst.hkl);
if size(hkltypes_used,2) > size(hkltypes_used,1)
......
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