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authorThomas White <taw@physics.org>2014-08-14 11:10:18 +0200
committerThomas White <taw@physics.org>2014-08-14 11:10:18 +0200
commite2335528269bf688d724248d3771cd3cee6558de (patch)
tree54ee924083be60722441069caacfed6c7bb62d17 /libcrystfel/src/integration.c
parent38a1ea2575da5499b0cd47d416df639bdcada418 (diff)
Factorise reflection prediction and do it before creating the mask
Diffstat (limited to 'libcrystfel/src/integration.c')
-rw-r--r--libcrystfel/src/integration.c29
1 files changed, 14 insertions, 15 deletions
diff --git a/libcrystfel/src/integration.c b/libcrystfel/src/integration.c
index 07a3e393..ec8bf05d 100644
--- a/libcrystfel/src/integration.c
+++ b/libcrystfel/src/integration.c
@@ -1487,7 +1487,7 @@ static void setup_profile_boxes(struct intcontext *ic, RefList *list)
}
-static void integrate_prof2d(IntegrationMethod meth, PartialityModel pmodel,
+static void integrate_prof2d(IntegrationMethod meth,
Crystal *cr, struct image *image, IntDiag int_diag,
signed int idh, signed int idk, signed int idl,
double ir_inn, double ir_mid, double ir_out,
@@ -1499,11 +1499,9 @@ static void integrate_prof2d(IntegrationMethod meth, PartialityModel pmodel,
int i;
int n_saturated = 0;
+ list = crystal_get_reflections(cr);
cell = crystal_get_cell(cr);
- /* Create initial list of reflections with nominal parameters */
- list = find_intersections(image, cr, pmodel);
-
ic.halfw = ir_out;
ic.image = image;
ic.k = 1.0/image->lambda;
@@ -1545,8 +1543,6 @@ static void integrate_prof2d(IntegrationMethod meth, PartialityModel pmodel,
free_intcontext(&ic);
image->num_saturated_peaks = n_saturated;
-
- crystal_set_reflections(cr, list);
}
@@ -1745,7 +1741,7 @@ static double estimate_resolution(UnitCell *cell, ImageFeatureList *flist)
}
-static void integrate_rings(IntegrationMethod meth, PartialityModel pmodel,
+static void integrate_rings(IntegrationMethod meth,
Crystal *cr, struct image *image, IntDiag int_diag,
signed int idh, signed int idk, signed int idl,
double ir_inn, double ir_mid, double ir_out,
@@ -1757,11 +1753,7 @@ static void integrate_rings(IntegrationMethod meth, PartialityModel pmodel,
UnitCell *cell;
struct intcontext ic;
- list = find_intersections(image, cr, pmodel);
- if ( list == NULL ) return;
-
- if ( num_reflections(list) == 0 ) return;
-
+ list = crystal_get_reflections(cr);
cell = crystal_get_cell(cr);
ic.halfw = ir_out;
@@ -1797,7 +1789,6 @@ static void integrate_rings(IntegrationMethod meth, PartialityModel pmodel,
free_intcontext(&ic);
crystal_set_num_saturated_reflections(cr, ic.n_saturated);
- crystal_set_reflections(cr, list);
if ( ic.n_implausible ) {
STATUS("Warning: %i implausibly negative reflection%s.\n",
@@ -1837,6 +1828,14 @@ void integrate_all_4(struct image *image, IntegrationMethod meth,
int i;
int *masks[image->det->n_panels];
+ /* Predict all reflections */
+ for ( i=0; i<image->n_crystals; i++ ) {
+ RefList *list;
+ list = find_intersections(image, image->crystals[i],
+ PMODEL_SCSPHERE);
+ crystal_set_reflections(image->crystals[i], list);
+ }
+
for ( i=0; i<image->det->n_panels; i++ ) {
masks[i] = make_BgMask(image, &image->det->panels[i], ir_inn);
}
@@ -1852,7 +1851,7 @@ void integrate_all_4(struct image *image, IntegrationMethod meth,
break;
case INTEGRATION_RINGS :
- integrate_rings(meth, pmodel, cr, image,
+ integrate_rings(meth, cr, image,
int_diag, idh, idk, idl,
ir_inn, ir_mid, ir_out,
results_pipe, masks);
@@ -1861,7 +1860,7 @@ void integrate_all_4(struct image *image, IntegrationMethod meth,
break;
case INTEGRATION_PROF2D :
- integrate_prof2d(meth, pmodel, cr, image,
+ integrate_prof2d(meth, cr, image,
int_diag, idh, idk, idl,
ir_inn, ir_mid, ir_out,
results_pipe, masks);