Commit e3d41026 authored by Thomas White's avatar Thomas White
Browse files

Push particle size display up to top level

parent fc02994d
......@@ -140,7 +140,6 @@ void get_diffraction_gpu(struct image *image, int na, int nb, int nc,
double ax, ay, az;
double bx, by, bz;
double cx, cy, cz;
double a, b, c, d;
float kc;
const size_t dims[2] = {1024, 1024};
cl_event event_d;
......@@ -176,11 +175,6 @@ void get_diffraction_gpu(struct image *image, int na, int nb, int nc,
cell[3] = bx; cell[4] = by; cell[5] = bz;
cell[6] = cx; cell[7] = cy; cell[8] = cz;
cell_get_parameters(image->molecule->cell,
&a, &b, &c, &d, &d, &d);
STATUS("Particle size = %i x %i x %i (=%5.2f x %5.2f x %5.2f nm)\n",
na, nb, nc, na*a/1.0e-9, nb*b/1.0e-9, nc*c/1.0e-9);
err = clGetPlatformIDs(8, platforms, &nplat);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't get platform IDs: %i\n", err);
......
......@@ -184,7 +184,6 @@ void get_diffraction(struct image *image, int na, int nb, int nc, int no_sfac)
double ax, ay, az;
double bx, by, bz;
double cx, cy, cz;
double a, b, c, d;
float kc;
if ( image->molecule == NULL ) return;
......@@ -193,11 +192,6 @@ void get_diffraction(struct image *image, int na, int nb, int nc, int no_sfac)
&bx, &by, &bz,
&cx, &cy, &cz);
cell_get_parameters(image->molecule->cell,
&a, &b, &c, &d, &d, &d);
STATUS("Particle size = %i x %i x %i (=%5.2f x %5.2f x %5.2f nm)\n",
na, nb, nc, na*a/1.0e-9, nb*b/1.0e-9, nc*c/1.0e-9);
/* Allocate (and zero) the "diffraction array" */
image->sfacs = calloc(image->width * image->height,
sizeof(double complex));
......
......@@ -256,10 +256,11 @@ int main(int argc, char *argv[])
do {
int na, nb, nc;
double a, b, c, d;
na = 8;//*random()/RAND_MAX + 4;
nb = 8;//*random()/RAND_MAX + 4;
nc = 16;//*random()/RAND_MAX + 30;
na = 8*random()/RAND_MAX + 4;
nb = 8*random()/RAND_MAX + 4;
nc = 16*random()/RAND_MAX + 30;
/* Read quaternion from stdin */
if ( config_randomquat ) {
......@@ -283,6 +284,10 @@ int main(int argc, char *argv[])
image.twotheta = NULL;
image.hdr = NULL;
cell_get_parameters(image.molecule->cell, &a, &b, &c, &d, &d, &d);
STATUS("Particle size = %i x %i x %i (=%5.2f x %5.2f x %5.2f nm)\n",
na, nb, nc, na*a/1.0e-9, nb*b/1.0e-9, nc*c/1.0e-9);
if ( config_gpu ) {
get_diffraction_gpu(&image, na, nb, nc, config_nosfac);
} else {
......
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