diff options
author | Thomas White <taw@bitwiz.org.uk> | 2012-02-05 16:11:14 -0800 |
---|---|---|
committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:45 +0100 |
commit | 6e2199a3ce1addb3887d919efbb7e4c80709cee3 (patch) | |
tree | 2c5d22dd729e616396f9867cf79b041aa763af40 /libcrystfel | |
parent | bf6645ab398d7d4649396bcff6bede32946f0994 (diff) |
Find a much larger number of candidates, and sort things out later
Diffstat (limited to 'libcrystfel')
-rw-r--r-- | libcrystfel/src/reax.c | 70 |
1 files changed, 29 insertions, 41 deletions
diff --git a/libcrystfel/src/reax.c b/libcrystfel/src/reax.c index 680e7d31..37e1ca05 100644 --- a/libcrystfel/src/reax.c +++ b/libcrystfel/src/reax.c @@ -46,7 +46,7 @@ /* Maximum number of candidate vectors to find (we will take the best ones) */ -#define MAX_CANDIDATES (32) +#define MAX_CANDIDATES (1024) struct dvec @@ -73,6 +73,7 @@ struct reax_search_v struct reax_candidate *cand; /* Candidate vectors go here */ int n_cand; /* There are this many candidates */ + int max_warned; }; @@ -147,42 +148,22 @@ static void fill_and_transform(struct dvec *dir, ImageFeatureList *flist, } -static void add_candidate(struct reax_search_v *s, struct dvec *dir, - double fom, double peak_mod) +static void add_candidate(struct reax_search_v *s, struct reax_candidate *c) { - struct reax_candidate cshift; - size_t ns; - int i, cpos; + int idx; - cpos = s->n_cand; - for ( i=0; i<s->n_cand; i++ ) { - if ( fom > s->cand[i].fom ) { - cpos = i; - break; + if ( s->n_cand == MAX_CANDIDATES ) { + if ( !s->max_warned ) { + ERROR("Warning: Too many candidates.\n"); + s->max_warned = 1; } + return; } - cshift.v.x = dir->x*peak_mod; - cshift.v.y = dir->y*peak_mod; - cshift.v.z = dir->z*peak_mod; - cshift.v.th = dir->th; - cshift.v.ph = dir->ph; - cshift.fom = fom; + idx = s->n_cand++; - for ( i=cpos; i<s->n_cand; i++ ) { - - struct reax_candidate cshift2; - cshift2 = s->cand[i]; - s->cand[i] = cshift; - cshift = cshift2; - - } - - if ( s->n_cand >= MAX_CANDIDATES ) { - /* "cshift" just fell off the end of the list */ - } else { - s->cand[s->n_cand++] = cshift; - } + s->cand[idx].v = c->v; + s->cand[idx].fom = c->fom; } @@ -247,11 +228,14 @@ static double check_dir(struct dvec *dir, ImageFeatureList *flist, /* If sufficiently strong, add to list of candidates */ if ( peak > mean+MIN_SIGMAS*sd ) { - double fom; + struct reax_candidate c; - fom = peak; + c.v.x = dir->x * peak_mod; + c.v.y = dir->y * peak_mod; + c.v.z = dir->z * peak_mod; + c.fom = peak; - add_candidate(&s->search[i], dir, fom, peak_mod); + add_candidate(&s->search[i], &c); } @@ -261,7 +245,9 @@ static double check_dir(struct dvec *dir, ImageFeatureList *flist, } -/* Refine a direct space vector. From Clegg (1984) */ +/* Refine a direct space vector. From Clegg (1984) + * with added iteration because more reflections might get included as the + * refinement proceeds. */ static double iterate_refine_vector(double *x, double *y, double *z, ImageFeatureList *flist) { @@ -479,6 +465,8 @@ static void find_candidates(struct reax_private *p, s, NULL, NULL); } + squash_vectors(s, INC_TOL_MULTIPLIER*p->angular_inc); + //show_vectors(s, "BEFORE"); for ( i=0; i<s->n_search; i++ ) { @@ -487,12 +475,9 @@ static void find_candidates(struct reax_private *p, int j; sv = &s->search[i]; - for ( j=0; j<smallest(sv->n_cand, 3); j++ ) { -// refine_vector(flist, &sv->cand[j].v); - } - } + refine_vector(flist, &sv->cand[j].v); -// squash_vectors(s, INC_TOL_MULTIPLIER*p->angular_inc); + } //show_vectors(s, "FINAL"); } @@ -531,10 +516,13 @@ static struct reax_search *search_all_axes(UnitCell *cell, double pmax) s->search = malloc(3*sizeof(struct reax_search_v)); smin = 2.0*pmax * amin; smax = 2.0*pmax * amax; s->search[0].smin = smin; s->search[0].smax = smax; + s->search[0].max_warned = 0; smin = 2.0*pmax * bmin; smax = 2.0*pmax * bmax; s->search[1].smin = smin; s->search[1].smax = smax; + s->search[1].max_warned = 0; smin = 2.0*pmax * cmin; smax = 2.0*pmax * cmax; s->search[2].smin = smin; s->search[2].smax = smax; + s->search[2].max_warned = 0; return s; } @@ -1053,7 +1041,7 @@ IndexingPrivate *reax_prepare() p->base.indm = INDEXING_REAX; - p->angular_inc = deg2rad(1.7); /* From Steller (1997) */ + p->angular_inc = deg2rad(1.0); /* Reserve memory, over-estimating the number of directions */ samp = 2.0*M_PI / p->angular_inc; |