diff options
Diffstat (limited to 'libcrystfel/src/indexers/asdf.c')
| -rw-r--r-- | libcrystfel/src/indexers/asdf.c | 21 |
1 files changed, 16 insertions, 5 deletions
diff --git a/libcrystfel/src/indexers/asdf.c b/libcrystfel/src/indexers/asdf.c index 7030a3e7..a1f8f50d 100644 --- a/libcrystfel/src/indexers/asdf.c +++ b/libcrystfel/src/indexers/asdf.c @@ -364,7 +364,7 @@ static float find_ds_fft(double *projections, int N_projections, double d_max, memcpy(projections_sorted, projections, sizeof(double) * n); qsort(projections_sorted, n, sizeof(double), compare_doubles); - int i, k; + int i; int N = fftw.N; // number of points in fft calculation double *in = fftw.in; @@ -376,6 +376,7 @@ static float find_ds_fft(double *projections, int N_projections, double d_max, } for ( i=0; i<n; i++ ) { + int k; k = (int)((projections_sorted[i] - projections_sorted[0]) / (projections_sorted[n - 1] - projections_sorted[0]) * (N - 1)); @@ -394,8 +395,8 @@ static float find_ds_fft(double *projections, int N_projections, double d_max, int d = 1; double max = 0; - double a; for ( i=1; i<=i_max; i++ ) { + double a; a = sqrt(out[i][0] * out[i][0] + out[i][1] * out[i][1]); if (a > max) { max = a; @@ -581,8 +582,6 @@ static int refine_asdf_cell(struct asdf_cell *c, gsl_vector **reflections, static int reduce_asdf_cell(struct asdf_cell *cl) { - double a, b, c, alpha, beta, gamma, ab, bc, ca, bb, cc; - gsl_vector *va = gsl_vector_alloc(3); gsl_vector *vb = gsl_vector_alloc(3); gsl_vector *vc = gsl_vector_alloc(3); @@ -591,6 +590,9 @@ static int reduce_asdf_cell(struct asdf_cell *cl) int n = 0; while ( changed ) { + + double a, b, c, alpha, beta, gamma, ab, bc, ca; + n += 1; changed = 0; @@ -612,6 +614,8 @@ static int reduce_asdf_cell(struct asdf_cell *cl) if ( changed == 0 ) { + double bb; + if ( gamma < 90 ) { gsl_vector_scale(vb, -1); gamma = 180 - gamma; @@ -634,6 +638,8 @@ static int reduce_asdf_cell(struct asdf_cell *cl) if ( changed == 0 ) { + double cc; + if ( beta < 90 ) { gsl_vector_scale(vc, -1); beta = 180 - beta; @@ -659,6 +665,9 @@ static int reduce_asdf_cell(struct asdf_cell *cl) } if ( changed == 0 ) { + + double cc; + if ( alpha < 90 ) { gsl_vector_scale(vc, -1); beta = 180 - beta; @@ -901,10 +910,12 @@ static int **generate_triplets(int N_reflections, int N_triplets_max, int *N) return 0; } - int is_in_triplets; n = 0; while ( n < N_triplets ) { + + int is_in_triplets; + /* Generate three different integer numbers < N_reflections */ i = rand() % N_reflections; j = i; |