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authorThomas White <taw@physics.org>2013-05-28 17:45:26 +0200
committerThomas White <taw@physics.org>2013-05-28 17:58:43 +0200
commita2e0045930dfc005160ec8d10becde3847cd8048 (patch)
treef8bd054f3e6cbe113d3d9dc2f451a01511a160f5
parent030468ac37875e1e94c357434fc5782a71bdc5fe (diff)
Attempt to center the box a bit before integration
-rw-r--r--libcrystfel/src/integration.c68
1 files changed, 58 insertions, 10 deletions
diff --git a/libcrystfel/src/integration.c b/libcrystfel/src/integration.c
index 6c4ec57e..e9ba259d 100644
--- a/libcrystfel/src/integration.c
+++ b/libcrystfel/src/integration.c
@@ -770,15 +770,12 @@ static int check_box(struct intcontext *ic, struct peak_box *bx, int *sat)
fs = bx->cfs + p;
ss = bx->css + q;
- assert(fs >= 0);
- assert(fs < bx->p->w);
- assert(ss >= 0);
- assert(ss < bx->p->h);
+ if ( (fs < 0) || (fs >= bx->p->w)
+ || (ss < 0) || (ss >= bx->p->h) ) return 1;
- assert(p >= 0);
- assert(p < ic->w);
- assert(q >= 0);
- assert(q < ic->w);
+ if ( (p < 0) || (p >= ic->w) || (q < 0) || (q >= ic->w) ) {
+ return 1;
+ }
bx->bm[p+ic->w*q] = ic->bm[p+ic->w*q];
@@ -844,6 +841,57 @@ static double fit_J(struct intcontext *ic, struct peak_box *bx)
}
+static int center_and_check_box(struct intcontext *ic, struct peak_box *bx,
+ int *sat)
+{
+ int i;
+
+ if ( check_box(ic, bx, sat) ) return 1;
+
+ for ( i=0; i<10; i++ ) {
+
+ int p, q;
+ double sum_fs = 0.0;
+ double sum_ss = 0.0;
+ double den = 0.0;
+ int t_offs_fs = 0;
+ int t_offs_ss = 0;
+ double offs_fs, offs_ss;
+
+ for ( p=0; p<ic->w; p++ ) {
+ for ( q=0; q<ic->w; q++ ) {
+
+ double bi = boxi(ic, bx, p, q);
+
+ if ( bx->bm[p + ic->w*q] != BM_PK ) continue;
+
+ sum_fs += bi * (p-ic->halfw);
+ sum_ss += bi * (q-ic->halfw);
+ den += bi;
+
+ }
+ }
+
+ offs_fs = sum_fs / den;
+ offs_ss = sum_ss / den;
+
+ bx->cfs += rint(offs_fs);
+ bx->css += rint(offs_ss);
+
+ t_offs_fs += rint(offs_fs);
+ t_offs_ss += rint(offs_fs);
+
+ if ( check_box(ic, bx, sat) ) return 1;
+
+ if ( t_offs_fs*t_offs_fs + t_offs_ss*t_offs_ss > ic->w*ic->w ) {
+ return 1;
+ }
+ }
+
+ return 0;
+}
+
+
static double fit_intensity(struct intcontext *ic, struct peak_box *bx)
{
int p, q;
@@ -1041,7 +1089,7 @@ static void measure_all_intensities(IntegrationMethod meth, RefList *list,
/* Which reference profile? */
bx->rp = 0;//bx->pn;
- if ( check_box(&ic, bx, &saturated) ) {
+ if ( center_and_check_box(&ic, bx, &saturated) ) {
delete_box(&ic, bx);
continue;
}
@@ -1465,7 +1513,7 @@ static void integrate_rings(IntegrationMethod meth, Crystal *cr,
bx->p = p;
bx->pn = pn;
- if ( check_box(&ic, bx, &saturated) ) {
+ if ( center_and_check_box(&ic, bx, &saturated) ) {
delete_box(&ic, bx);
continue;
}