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authorThomas White <taw@physics.org>2018-05-02 17:37:12 +0200
committerThomas White <taw@physics.org>2018-05-07 10:08:02 +0200
commit294965d42b309e98c8952d3a5dea753af21713a6 (patch)
tree99bcc1c0b243d1bc2294595aa69f0c0da297fb79 /tests
parent73675c8c4cb66245758b705f35255b80b6c8d743 (diff)
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)
Diffstat (limited to 'tests')
-rw-r--r--tests/linear_scale_check.c10
1 files changed, 5 insertions, 5 deletions
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 <taw@physics.org>
+ * 2017-2018 Thomas White <taw@physics.org>
*
* 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;