From 711eb549766a222cf254d24dfe1c71129b036a82 Mon Sep 17 00:00:00 2001
From: Laura Nervo <laura.nervo@esrf.fr>
Date: Wed, 21 Aug 2013 16:30:38 +0200
Subject: [PATCH] gtCrystSignedHKLs : check number of columns for reflection
list (must be 3 or 4) Take crystal system directly from parameters file
Signed-off-by: Laura Nervo <laura.nervo@esrf.fr>
---
zUtil_Cryst/gtCrystSignedHKLs.m | 8 ++++----
zUtil_Cryst/gtSymmetricReflections.m | 3 +--
2 files changed, 5 insertions(+), 6 deletions(-)
diff --git a/zUtil_Cryst/gtCrystSignedHKLs.m b/zUtil_Cryst/gtCrystSignedHKLs.m
index 7992af4d..db134a5e 100644
--- a/zUtil_Cryst/gtCrystSignedHKLs.m
+++ b/zUtil_Cryst/gtCrystSignedHKLs.m
@@ -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 = [];
diff --git a/zUtil_Cryst/gtSymmetricReflections.m b/zUtil_Cryst/gtSymmetricReflections.m
index 6ef64ebc..ff8a5e9e 100644
--- a/zUtil_Cryst/gtSymmetricReflections.m
+++ b/zUtil_Cryst/gtSymmetricReflections.m
@@ -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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