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authorThomas White <taw@physics.org>2015-11-18 17:07:32 +0100
committerThomas White <taw@physics.org>2015-11-18 17:07:32 +0100
commit40dd7ff04a44688544e22cc3a0384bef808abc64 (patch)
tree50349b6b9cb9f01f325839b28615f422a76e5187 /src/scaling.c
parent89949625d5e390488f30746743709614b9827d15 (diff)
Move B factor limit to general rejection function
Diffstat (limited to 'src/scaling.c')
-rw-r--r--src/scaling.c9
1 files changed, 1 insertions, 8 deletions
diff --git a/src/scaling.c b/src/scaling.c
index b3b9137e..5bfba451 100644
--- a/src/scaling.c
+++ b/src/scaling.c
@@ -317,7 +317,6 @@ struct scale_args
RefList *full;
Crystal *crystal;
PartialityModel pmodel;
- double max_B;
};
@@ -335,11 +334,6 @@ static void scale_crystal(void *task, int id)
{
struct scale_args *pargs = task;
do_scale_refine(pargs->crystal, pargs->full, pargs->pmodel);
-
- /* Reject if B factor modulus is very large */
- if ( fabs(crystal_get_Bfac(pargs->crystal)) > pargs->max_B ) {
- crystal_set_user_flag(pargs->crystal, PRFLAG_BIGB);
- }
}
@@ -395,7 +389,7 @@ static double total_log_r(Crystal **crystals, int n_crystals, RefList *full,
/* Perform iterative scaling, all the way to convergence */
void scale_all(Crystal **crystals, int n_crystals, int nthreads,
- PartialityModel pmodel, double max_B)
+ PartialityModel pmodel)
{
struct scale_args task_defaults;
struct queue_args qargs;
@@ -403,7 +397,6 @@ void scale_all(Crystal **crystals, int n_crystals, int nthreads,
task_defaults.crystal = NULL;
task_defaults.pmodel = pmodel;
- task_defaults.max_B = max_B;
qargs.task_defaults = task_defaults;
qargs.n_crystals = n_crystals;