From 294965d42b309e98c8952d3a5dea753af21713a6 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Wed, 2 May 2018 17:37:12 +0200 Subject: Preparation for adjusting B factor during post-refinement Add --no-Bscale option to partialator, and pass down as far as needed residual() no longer does scaling: call scale_one_crystal() first if necessary scale_one() replaces old linear_scale() function to scale a pair of RefLists (but so far does the same as the old function) --- tests/linear_scale_check.c | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) (limited to 'tests') diff --git a/tests/linear_scale_check.c b/tests/linear_scale_check.c index 4cb6a1ba..5c723849 100644 --- a/tests/linear_scale_check.c +++ b/tests/linear_scale_check.c @@ -3,11 +3,11 @@ * * Check that linear scaling works * - * Copyright © 2017 Deutsches Elektronen-Synchrotron DESY, - * a research centre of the Helmholtz Association. + * Copyright © 2017-2018 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. * * Authors: - * 2017 Thomas White + * 2017-2018 Thomas White * * This file is part of CrystFEL. * @@ -45,7 +45,7 @@ int main(int argc, char *argv[]) gsl_rng *rng; RefList *list1; RefList *list2; - double G; + double G, B; int r; list1 = reflist_new(); @@ -70,7 +70,7 @@ int main(int argc, char *argv[]) set_partiality(refl2, 1.0); } - r = linear_scale(list1, list2, &G, 1); + r = scale_one(list1, list2, SCALE_NO_B, &G, &B); STATUS("Scaling result: %i, G = %f\n", r, G); return fail; -- cgit v1.2.3