Move post refinement multiprocessing stuff to post-refinement.c

1 files changed, 107 insertions, 2 deletions

diff --git a/src/post-refinement.c b/src/post-refinement.c
index 139b8b9a..9484da43 100644
--- a/src/post-refinement.c
+++ b/src/post-refinement.c
@@ -546,8 +546,8 @@ static double residual(Crystal *cr, const RefList *full, int verbose, int free)
 }
 
 
-struct prdata pr_refine(Crystal *cr, const RefList *full,
-		PartialityModel pmodel, int no_scale)
+static struct prdata pr_refine(Crystal *cr, const RefList *full,
+                               PartialityModel pmodel, int no_scale)
 {
 	int i;
 	int verbose = 0;
@@ -614,3 +614,108 @@ struct prdata pr_refine(Crystal *cr, const RefList *full,
 
 	return prdata;
 }
+
+
+struct refine_args
+{
+	RefList *full;
+	Crystal *crystal;
+	PartialityModel pmodel;
+	int no_scale;
+	struct prdata prdata;
+};
+
+
+struct queue_args
+{
+	int n_started;
+	int n_done;
+	Crystal **crystals;
+	int n_crystals;
+	struct refine_args task_defaults;
+	double initial_residual;
+	double initial_free_residual;
+	double final_residual;
+	double final_free_residual;
+};
+
+
+static void refine_image(void *task, int id)
+{
+	struct refine_args *pargs = task;
+	Crystal *cr = pargs->crystal;
+
+	pargs->prdata = pr_refine(cr, pargs->full, pargs->pmodel,
+	                          pargs->no_scale);
+}
+
+
+static void *get_image(void *vqargs)
+{
+	struct refine_args *task;
+	struct queue_args *qargs = vqargs;
+
+	task = malloc(sizeof(struct refine_args));
+	memcpy(task, &qargs->task_defaults, sizeof(struct refine_args));
+
+	task->crystal = qargs->crystals[qargs->n_started];
+
+	qargs->n_started++;
+
+	return task;
+}
+
+
+static void done_image(void *vqargs, void *task)
+{
+	struct queue_args *qargs = vqargs;
+	struct refine_args *pargs = task;
+
+	qargs->n_done++;
+	qargs->initial_residual += pargs->prdata.initial_residual;
+	qargs->initial_free_residual += pargs->prdata.initial_free_residual;
+	qargs->final_residual += pargs->prdata.final_residual;
+	qargs->final_free_residual += pargs->prdata.final_free_residual;
+
+	progress_bar(qargs->n_done, qargs->n_crystals, "Refining");
+	free(task);
+}
+
+
+void refine_all(Crystal **crystals, int n_crystals,
+                RefList *full, int nthreads, PartialityModel pmodel,
+                int no_scale,
+                double *initial_residual, double *initial_free_residual,
+                double *final_residual, double *final_free_residual)
+{
+	struct refine_args task_defaults;
+	struct queue_args qargs;
+
+	task_defaults.full = full;
+	task_defaults.crystal = NULL;
+	task_defaults.pmodel = pmodel;
+	task_defaults.prdata.refined = 0;
+	task_defaults.prdata.n_filtered = 0;
+	task_defaults.no_scale = no_scale;
+
+	qargs.task_defaults = task_defaults;
+	qargs.n_started = 0;
+	qargs.n_done = 0;
+	qargs.n_crystals = n_crystals;
+	qargs.crystals = crystals;
+	qargs.initial_residual = 0.0;
+	qargs.initial_free_residual = 0.0;
+	qargs.final_residual = 0.0;
+	qargs.final_free_residual = 0.0;
+
+	/* Don't have threads which are doing nothing */
+	if ( n_crystals < nthreads ) nthreads = n_crystals;
+
+	run_threads(nthreads, refine_image, get_image, done_image,
+	            &qargs, n_crystals, 0, 0, 0);
+
+	*initial_residual = qargs.initial_residual;
+	*initial_free_residual = qargs.initial_free_residual;
+	*final_residual = qargs.final_residual;
+	*final_free_residual = qargs.final_free_residual;
+}