From df26c722cdcc68f4b3dcc09976ad0075b8e65537 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 27 Feb 2018 16:48:23 +0100 Subject: partialator: Tidy up old log files, and add --no-logs --- src/post-refinement.c | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) (limited to 'src/post-refinement.c') diff --git a/src/post-refinement.c b/src/post-refinement.c index f2355756..1c33e211 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -3,11 +3,11 @@ * * Post refinement * - * Copyright © 2012-2017 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2018 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: - * 2010-2017 Thomas White + * 2010-2018 Thomas White * * This file is part of CrystFEL. * @@ -545,8 +545,6 @@ void write_specgraph(Crystal *crystal, const RefList *full, get_indices(refl, &h, &k, &l); res = resolution(cell, h, k, l); - /* FIXME Free-flagged reflections only? */ - match = find_refl(full, h, k, l); if ( match == NULL ) continue; @@ -688,7 +686,7 @@ void write_gridscan(Crystal *cr, const RefList *full, static void do_pr_refine(Crystal *cr, const RefList *full, PartialityModel pmodel, int verbose, int serial, - int cycle) + int cycle, int write_logs) { gsl_multimin_fminimizer *min; struct rf_priv priv; @@ -697,7 +695,6 @@ static void do_pr_refine(Crystal *cr, const RefList *full, int r; double G; double residual_start, residual_free_start; - int write_logs = 1; FILE *fh = NULL; try_reindex(cr, full); @@ -710,8 +707,6 @@ static void do_pr_refine(Crystal *cr, const RefList *full, residual_start, residual_free_start); } - if ( serial % 20 ) write_logs = 0; - min = setup_minimiser(cr, full, verbose, serial, &priv); if ( verbose ) { @@ -865,13 +860,13 @@ static void do_pr_refine(Crystal *cr, const RefList *full, static struct prdata pr_refine(Crystal *cr, const RefList *full, PartialityModel pmodel, int verbose, int serial, - int cycle) + int cycle, int write_logs) { struct prdata prdata; prdata.refined = 0; - do_pr_refine(cr, full, pmodel, verbose, serial, cycle); + do_pr_refine(cr, full, pmodel, verbose, serial, cycle, write_logs); if ( crystal_get_user_flag(cr) == 0 ) { prdata.refined = 1; @@ -890,6 +885,7 @@ struct refine_args struct prdata prdata; int verbose; int cycle; + int no_logs; }; @@ -907,9 +903,12 @@ static void refine_image(void *task, int id) { struct refine_args *pargs = task; Crystal *cr = pargs->crystal; + int write_logs = 0; + write_logs = !pargs->no_logs && (pargs->serial % 20 == 0); pargs->prdata = pr_refine(cr, pargs->full, pargs->pmodel, - pargs->verbose, pargs->serial, pargs->cycle); + pargs->verbose, pargs->serial, pargs->cycle, + write_logs); } @@ -943,7 +942,7 @@ static void done_image(void *vqargs, void *task) void refine_all(Crystal **crystals, int n_crystals, RefList *full, int nthreads, PartialityModel pmodel, - int verbose, int cycle) + int verbose, int cycle, int no_logs) { struct refine_args task_defaults; struct queue_args qargs; @@ -954,6 +953,7 @@ void refine_all(Crystal **crystals, int n_crystals, task_defaults.prdata.refined = 0; task_defaults.verbose = verbose; task_defaults.cycle = cycle; + task_defaults.no_logs = no_logs; qargs.task_defaults = task_defaults; qargs.n_started = 0; -- cgit v1.2.3