diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/diffraction.c | 10 | ||||
| -rw-r--r-- | src/diffraction.h | 2 | ||||
| -rw-r--r-- | src/ewald.c | 8 | ||||
| -rw-r--r-- | src/image.h | 4 | ||||
| -rw-r--r-- | src/intensities.c | 2 |
5 files changed, 13 insertions, 13 deletions
diff --git a/src/diffraction.c b/src/diffraction.c index 94b10d38..be5fb014 100644 --- a/src/diffraction.c +++ b/src/diffraction.c @@ -24,12 +24,12 @@ #include "sfac.h" -static double lattice_factor(struct threevec q, double ax, double ay, double az, +static double lattice_factor(struct rvec q, double ax, double ay, double az, double bx, double by, double bz, double cx, double cy, double cz, int na, int nb, int nc) { - struct threevec Udotq; + struct rvec Udotq; double f1, f2, f3; Udotq.u = ax*q.u + ay*q.v + az*q.w; @@ -65,7 +65,7 @@ static double lattice_factor(struct threevec q, double ax, double ay, double az, /* Look up the structure factor for the nearest Bragg condition */ -static double complex molecule_factor(struct molecule *mol, struct threevec q, +static double complex molecule_factor(struct molecule *mol, struct rvec q, double ax, double ay, double az, double bx, double by, double bz, double cx, double cy, double cz) @@ -87,7 +87,7 @@ static double complex molecule_factor(struct molecule *mol, struct threevec q, } -double water_intensity(struct threevec q, double en, +double water_intensity(struct rvec q, double en, double beam_r, double water_r) { double complex fH, fO; @@ -170,7 +170,7 @@ void get_diffraction(struct image *image, int na, int nb, int nc) double f_lattice; double complex f_molecule; - struct threevec q; + struct rvec q; double complex val; q = image->qvecs[x + image->width*y]; diff --git a/src/diffraction.h b/src/diffraction.h index 1ad5fd50..dfed4d4c 100644 --- a/src/diffraction.h +++ b/src/diffraction.h @@ -20,7 +20,7 @@ #include "cell.h" extern void get_diffraction(struct image *image, int na, int nb, int nc); -extern double water_intensity(struct threevec q, double en, +extern double water_intensity(struct rvec q, double en, double beam_r, double water_r); #endif /* DIFFRACTION_H */ diff --git a/src/ewald.c b/src/ewald.c index 89c2e484..82b70df2 100644 --- a/src/ewald.c +++ b/src/ewald.c @@ -20,9 +20,9 @@ #include "ewald.h" -static struct threevec quat_rot(struct threevec q, struct quaternion z) +static struct rvec quat_rot(struct rvec q, struct quaternion z) { - struct threevec res; + struct rvec res; double t01, t02, t03, t11, t12, t13, t22, t23, t33; t01 = z.w*z.x; @@ -59,7 +59,7 @@ void get_ewald(struct image *image) k = 1/image->lambda; image->qvecs = malloc(image->width * image->height - * sizeof(struct threevec)); + * sizeof(struct rvec)); image->twotheta = malloc(image->width * image->height * sizeof(double)); @@ -70,7 +70,7 @@ void get_ewald(struct image *image) double rx, ry, r; double twothetax, twothetay, twotheta; double qx, qy, qz; - struct threevec q; + struct rvec q; /* Calculate q vectors for Ewald sphere */ rx = ((double)x - image->x_centre) / image->resolution; diff --git a/src/image.h b/src/image.h index 7cf47761..d01fb24e 100644 --- a/src/image.h +++ b/src/image.h @@ -58,7 +58,7 @@ typedef struct _imagefeaturelist ImageFeatureList; /* A 3D vector in reciprocal space */ -struct threevec +struct rvec { double u; double v; @@ -72,7 +72,7 @@ struct image { int *hdr; /* Actual counts */ int16_t *data; /* Integer counts after bloom */ double complex *sfacs; - struct threevec *qvecs; + struct rvec *qvecs; double *twotheta; struct molecule *molecule; diff --git a/src/intensities.c b/src/intensities.c index d56983b4..1fb4cc5b 100644 --- a/src/intensities.c +++ b/src/intensities.c @@ -69,7 +69,7 @@ void output_intensities(struct image *image) double hd, kd, ld; /* Indices with decimal places */ double dh, dk, dl; /* Distances in h,k,l directions */ signed int h, k, l; - struct threevec q; + struct rvec q; double dist; int found = 0; int j; |