int main(int argc, char *argv[])
{
struct image image;
const double incr_frac = 1.0/1000000.0;
double incr_val;
double ax, ay, az;
double bx, by, bz;
double cx, cy, cz;
UnitCell *cell;
Crystal *cr;
struct quaternion orientation;
int i;
int fail = 0;
int quiet = 0;
int plot = 0;
int c;
gsl_rng *rng;
const struct option longopts[] = {
{"quiet", 0, &quiet, 1},
{"plot", 0, &plot, 1},
{0, 0, NULL, 0}
};
while ((c = getopt_long(argc, argv, "", longopts, NULL)) != -1) {
switch (c) {
case 0 :
break;
case '?' :
break;
default :
ERROR("Unhandled option '%c'\n", c);
break;
}
}
image.width = 1024;
image.height = 1024;
image.det = simple_geometry(&image);
image.det->panels[0].res = 13333.3;
image.det->panels[0].clen = 80e-3;
image.det->panels[0].coffset = 0.0;
image.lambda = ph_en_to_lambda(eV_to_J(8000.0));
image.div = 1e-3;
image.bw = 0.01;
image.filename = malloc(256);
cr = crystal_new();
if ( cr == NULL ) {
ERROR("Failed to allocate crystal.\n");
return 1;
}
crystal_set_mosaicity(cr, 0.0);
crystal_set_profile_radius(cr, 0.005e9);
crystal_set_image(cr, &image);
cell = cell_new_from_parameters(10.0e-9, 10.0e-9, 10.0e-9,
deg2rad(90.0),
deg2rad(90.0),
deg2rad(90.0));
rng = gsl_rng_alloc(gsl_rng_mt19937);
for ( i=0; i<2; i++ ) {
UnitCell *rot;
double val;
PartialityModel pmodel;
if ( i == 0 ) {
pmodel = PMODEL_SCSPHERE;
STATUS("Testing SCSphere model:\n");
} else if ( i == 1 ) {
pmodel = PMODEL_SCGAUSSIAN;
STATUS("Testing SCGaussian model.\n");
} else {
ERROR("WTF?\n");
return 1;
}
orientation = random_quaternion(rng);
rot = cell_rotate(cell, orientation);
crystal_set_cell(cr, rot);
cell_get_reciprocal(rot,
&ax, &ay, &az, &bx, &by,
&bz, &cx, &cy, &cz);
incr_val = incr_frac * image.div;
val = test_gradients(cr, incr_val, REF_DIV, "div", "div",
pmodel, quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * crystal_get_profile_radius(cr);
val = test_gradients(cr, incr_val, REF_R, "R", "R", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * ax;
val = test_gradients(cr, incr_val, REF_ASX, "ax*", "x", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * bx;
val = test_gradients(cr, incr_val, REF_BSX, "bx*", "x", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * cx;
val = test_gradients(cr, incr_val, REF_CSX, "cx*", "x", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * ay;
val = test_gradients(cr, incr_val, REF_ASY, "ay*", "y", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * by;
val = test_gradients(cr, incr_val, REF_BSY, "by*", "y", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * cy;
val = test_gradients(cr, incr_val, REF_CSY, "cy*", "y", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * az;
val = test_gradients(cr, incr_val, REF_ASZ, "az*", "z", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * bz;
val = test_gradients(cr, incr_val, REF_BSZ, "bz*", "z", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
incr_val = incr_frac * cz;
val = test_gradients(cr, incr_val, REF_CSZ, "cz*", "z", pmodel,
quiet, plot);
if ( val < 0.99 ) fail = 1;
}
gsl_rng_free(rng);
return fail;
}
/* Read the next chunk from a stream and fill in 'image' */
int read_chunk_2(Stream *st, struct image *image, StreamReadFlags srf)
{
char line[1024];
char *rval = NULL;
int have_filename = 0;
int have_ev = 0;
if ( find_start_of_chunk(st->fh) ) return 1;
image->lambda = -1.0;
image->features = NULL;
image->crystals = NULL;
image->n_crystals = 0;
if ( (srf & STREAM_READ_REFLECTIONS) || (srf & STREAM_READ_UNITCELL) ) {
srf |= STREAM_READ_CRYSTALS;
}
do {
float div, bw;
rval = fgets(line, 1023, st->fh);
/* Trouble? */
if ( rval == NULL ) break;
chomp(line);
if ( strncmp(line, "Image filename: ", 16) == 0 ) {
image->filename = strdup(line+16);
have_filename = 1;
}
if ( strncmp(line, "indexed_by = ", 13) == 0 ) {
IndexingMethod *list;
list = build_indexer_list(line+13);
image->indexed_by = list[0];
free(list);
have_filename = 1;
}
if ( strncmp(line, "photon_energy_eV = ", 19) == 0 ) {
image->lambda = ph_en_to_lambda(eV_to_J(atof(line+19)));
have_ev = 1;
}
if ( sscanf(line, "beam_divergence = %f mrad", &div) == 1 ) {
image->div = div/1e3;
}
if ( sscanf(line, "beam_bandwidth = %f %%", &bw) == 1 ) {
image->bw = bw/100.0;
}
if ( strncmp(line, "camera_length_", 14) == 0 ) {
if ( image->det != NULL ) {
int k;
char name[1024];
struct panel *p;
for ( k=0; k<strlen(line)-14; k++ ) {
char ch = line[k+14];
name[k] = ch;
if ( (ch == ' ') || (ch == '=') ) {
name[k] = '\0';
break;
}
}
p = find_panel_by_name(image->det, name);
if ( p == NULL ) {
ERROR("No panel '%s'\n", name);
} else {
p->clen = atof(line+14+k+3);
}
}
}
if ( (srf & STREAM_READ_PEAKS)
&& (strcmp(line, PEAK_LIST_START_MARKER) == 0) ) {
if ( read_peaks(st->fh, image) ) {
ERROR("Failed while reading peaks\n");
return 1;
}
}
if ( (srf & STREAM_READ_CRYSTALS)
&& (strcmp(line, CRYSTAL_START_MARKER) == 0) )
{
read_crystal(st, image, srf);
}
/* A chunk must have at least a filename and a wavelength,
* otherwise it's incomplete */
if ( strcmp(line, CHUNK_END_MARKER) == 0 ) {
if ( have_filename && have_ev ) return 0;
ERROR("Incomplete chunk found in input file.\n");
return 1;
}
} while ( 1 );
if ( !feof(st->fh) ) {
ERROR("Error reading stream.\n");
}
return 1; /* Either error or EOF, don't care because we will complain
* on the terminal if it was an error. */
}
