diff options
author | Thomas White <taw@physics.org> | 2015-11-18 17:07:32 +0100 |
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committer | Thomas White <taw@physics.org> | 2015-11-18 17:07:32 +0100 |
commit | 40dd7ff04a44688544e22cc3a0384bef808abc64 (patch) | |
tree | 50349b6b9cb9f01f325839b28615f422a76e5187 /src/scaling.c | |
parent | 89949625d5e390488f30746743709614b9827d15 (diff) |
Move B factor limit to general rejection function
Diffstat (limited to 'src/scaling.c')
-rw-r--r-- | src/scaling.c | 9 |
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; |