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-rw-r--r--src/Makefile.am2
-rw-r--r--src/Makefile.in7
-rw-r--r--src/diffraction-gpu.c3
-rw-r--r--src/diffraction-gpu.h6
-rw-r--r--src/diffraction.c122
-rw-r--r--src/diffraction.h5
-rw-r--r--src/indexamajig.c52
-rw-r--r--src/pattern_sim.c31
-rw-r--r--src/utils.h5
9 files changed, 185 insertions, 48 deletions
diff --git a/src/Makefile.am b/src/Makefile.am
index 6031e441..98508dd0 100644
--- a/src/Makefile.am
+++ b/src/Makefile.am
@@ -11,7 +11,7 @@ AM_CPPFLAGS = -DDATADIR=\""$(datadir)"\"
pattern_sim_SOURCES = pattern_sim.c diffraction.c utils.c image.c cell.c \
hdf5-file.c detector.c sfac.c peaks.c reflections.c \
- beam-parameters.c
+ beam-parameters.c symmetry.c
if HAVE_OPENCL
pattern_sim_SOURCES += diffraction-gpu.c cl-utils.c
endif
diff --git a/src/Makefile.in b/src/Makefile.in
index a427a4ef..4cc04b36 100644
--- a/src/Makefile.in
+++ b/src/Makefile.in
@@ -119,12 +119,13 @@ indexamajig_OBJECTS = $(am_indexamajig_OBJECTS)
indexamajig_DEPENDENCIES =
am__pattern_sim_SOURCES_DIST = pattern_sim.c diffraction.c utils.c \
image.c cell.c hdf5-file.c detector.c sfac.c peaks.c \
- reflections.c beam-parameters.c diffraction-gpu.c cl-utils.c
+ reflections.c beam-parameters.c symmetry.c diffraction-gpu.c \
+ cl-utils.c
am_pattern_sim_OBJECTS = pattern_sim.$(OBJEXT) diffraction.$(OBJEXT) \
utils.$(OBJEXT) image.$(OBJEXT) cell.$(OBJEXT) \
hdf5-file.$(OBJEXT) detector.$(OBJEXT) sfac.$(OBJEXT) \
peaks.$(OBJEXT) reflections.$(OBJEXT) \
- beam-parameters.$(OBJEXT) $(am__objects_1)
+ beam-parameters.$(OBJEXT) symmetry.$(OBJEXT) $(am__objects_1)
pattern_sim_OBJECTS = $(am_pattern_sim_OBJECTS)
pattern_sim_DEPENDENCIES =
am_powder_plot_OBJECTS = powder_plot.$(OBJEXT) cell.$(OBJEXT) \
@@ -284,7 +285,7 @@ AM_CFLAGS = -Wall
AM_CPPFLAGS = -DDATADIR=\""$(datadir)"\"
pattern_sim_SOURCES = pattern_sim.c diffraction.c utils.c image.c \
cell.c hdf5-file.c detector.c sfac.c peaks.c reflections.c \
- beam-parameters.c $(am__append_2)
+ beam-parameters.c symmetry.c $(am__append_2)
pattern_sim_LDADD = @LIBS@
process_hkl_SOURCES = process_hkl.c sfac.c statistics.c cell.c utils.c \
reflections.c symmetry.c stream.c beam-parameters.c
diff --git a/src/diffraction-gpu.c b/src/diffraction-gpu.c
index 324cc4cd..2d8eda95 100644
--- a/src/diffraction-gpu.c
+++ b/src/diffraction-gpu.c
@@ -330,7 +330,8 @@ void get_diffraction_gpu(struct gpu_context *gctx, struct image *image,
/* Setup the OpenCL stuff, create buffers, load the structure factor table */
struct gpu_context *setup_gpu(int no_sfac, struct image *image,
- const double *intensities, int dev_num)
+ const double *intensities, unsigned char *flags,
+ int dev_num)
{
struct gpu_context *gctx;
cl_uint nplat;
diff --git a/src/diffraction-gpu.h b/src/diffraction-gpu.h
index 4a5815bf..7e6048b3 100644
--- a/src/diffraction-gpu.h
+++ b/src/diffraction-gpu.h
@@ -26,7 +26,8 @@ struct gpu_context;
extern void get_diffraction_gpu(struct gpu_context *gctx, struct image *image,
int na, int nb, int nc, UnitCell *ucell);
extern struct gpu_context *setup_gpu(int no_sfac, struct image *image,
- const double *intensities, int dev_num);
+ const double *intensities,
+ const unsigned char *flags, int dev_num);
extern void cleanup_gpu(struct gpu_context *gctx);
#else
@@ -39,7 +40,8 @@ static void get_diffraction_gpu(struct gpu_context *gctx, struct image *image,
}
static struct gpu_context *setup_gpu(int no_sfac, struct image *image,
- const double *intensities, int dev_num)
+ const double *intensities,
+ const unsigned char *flags, int dev_num)
{
return NULL;
}
diff --git a/src/diffraction.c b/src/diffraction.c
index 93ac7f8e..aa06c44b 100644
--- a/src/diffraction.c
+++ b/src/diffraction.c
@@ -23,6 +23,7 @@
#include "diffraction.h"
#include "sfac.h"
#include "beam-parameters.h"
+#include "symmetry.h"
#define SAMPLING (4)
@@ -69,8 +70,63 @@ static double lattice_factor(struct rvec q, double ax, double ay, double az,
}
-static double interpolate_linear(const double *ref,
- float hd, signed int k, signed int l)
+static double sym_lookup_intensity(const double *intensities,
+ const unsigned char *flags, const char *sym,
+ signed int h, signed int k, signed int l)
+{
+ int i;
+ double ret = 0.0;
+
+ for ( i=0; i<num_general_equivs(sym); i++ ) {
+
+ signed int he;
+ signed int ke;
+ signed int le;
+ double f, val;
+
+ get_general_equiv(h, k, l, &he, &ke, &le, sym, i);
+
+ f = (double)lookup_flag(flags, he, ke, le);
+ val = lookup_intensity(intensities, he, ke, le);
+
+ ret += f*val;
+
+ }
+
+ return ret;
+}
+
+
+static double sym_lookup_phase(const double *phases,
+ const unsigned char *flags, const char *sym,
+ signed int h, signed int k, signed int l)
+{
+ int i;
+ double ret = 0.0;
+
+ for ( i=0; i<num_general_equivs(sym); i++ ) {
+
+ signed int he;
+ signed int ke;
+ signed int le;
+ double f, val;
+
+ get_general_equiv(h, k, l, &he, &ke, &le, sym, i);
+
+ f = (double)lookup_flag(flags, he, ke, le);
+ val = lookup_phase(phases, he, ke, le);
+
+ ret += f*val;
+
+ }
+
+ return ret;
+}
+
+
+static double interpolate_linear(const double *ref, const unsigned char *flags,
+ const char *sym, float hd,
+ signed int k, signed int l)
{
signed int h;
double val1, val2;
@@ -81,8 +137,8 @@ static double interpolate_linear(const double *ref,
f = hd - (float)h;
assert(f >= 0.0);
- val1 = lookup_intensity(ref, h, k, l);
- val2 = lookup_intensity(ref, h+1, k, l);
+ val1 = sym_lookup_intensity(ref, flags, sym, h, k, l);
+ val2 = sym_lookup_intensity(ref, flags, sym, h+1, k, l);
val1 = val1;
val2 = val2;
@@ -92,6 +148,7 @@ static double interpolate_linear(const double *ref,
static double interpolate_bilinear(const double *ref,
+ const unsigned char *flags, const char *sym,
float hd, float kd, signed int l)
{
signed int k;
@@ -103,14 +160,15 @@ static double interpolate_bilinear(const double *ref,
f = kd - (float)k;
assert(f >= 0.0);
- val1 = interpolate_linear(ref, hd, k, l);
- val2 = interpolate_linear(ref, hd, k+1, l);
+ val1 = interpolate_linear(ref, flags, sym, hd, k, l);
+ val2 = interpolate_linear(ref, flags, sym, hd, k+1, l);
return (1.0-f)*val1 + f*val2;
}
static double interpolate_intensity(const double *ref,
+ const unsigned char *flags, const char *sym,
float hd, float kd, float ld)
{
signed int l;
@@ -122,8 +180,8 @@ static double interpolate_intensity(const double *ref,
f = ld - (float)l;
assert(f >= 0.0);
- val1 = interpolate_bilinear(ref, hd, kd, l);
- val2 = interpolate_bilinear(ref, hd, kd, l+1);
+ val1 = interpolate_bilinear(ref, flags, sym, hd, kd, l);
+ val2 = interpolate_bilinear(ref, flags, sym, hd, kd, l+1);
return (1.0-f)*val1 + f*val2;
}
@@ -131,6 +189,8 @@ static double interpolate_intensity(const double *ref,
static double complex interpolate_phased_linear(const double *ref,
const double *phases,
+ const unsigned char *flags,
+ const char *sym,
float hd,
signed int k, signed int l)
{
@@ -146,10 +206,10 @@ static double complex interpolate_phased_linear(const double *ref,
f = hd - (float)h;
assert(f >= 0.0);
- val1 = lookup_intensity(ref, h, k, l);
- val2 = lookup_intensity(ref, h+1, k, l);
- ph1 = lookup_phase(phases, h, k, l);
- ph2 = lookup_phase(phases, h+1, k, l);
+ val1 = sym_lookup_intensity(ref, flags, sym, h, k, l);
+ val2 = sym_lookup_intensity(ref, flags, sym, h+1, k, l);
+ ph1 = sym_lookup_phase(phases, flags, sym, h, k, l);
+ ph2 = sym_lookup_phase(phases, flags, sym, h+1, k, l);
val1 = val1;
val2 = val2;
@@ -169,6 +229,8 @@ static double complex interpolate_phased_linear(const double *ref,
static double complex interpolate_phased_bilinear(const double *ref,
const double *phases,
+ const unsigned char *flags,
+ const char *sym,
float hd, float kd,
signed int l)
{
@@ -181,8 +243,8 @@ static double complex interpolate_phased_bilinear(const double *ref,
f = kd - (float)k;
assert(f >= 0.0);
- val1 = interpolate_phased_linear(ref, phases, hd, k, l);
- val2 = interpolate_phased_linear(ref, phases, hd, k+1, l);
+ val1 = interpolate_phased_linear(ref, phases, flags, sym, hd, k, l);
+ val2 = interpolate_phased_linear(ref, phases, flags, sym, hd, k+1, l);
return (1.0-f)*val1 + f*val2;
}
@@ -190,6 +252,8 @@ static double complex interpolate_phased_bilinear(const double *ref,
static double interpolate_phased_intensity(const double *ref,
const double *phases,
+ const unsigned char *flags,
+ const char *sym,
float hd, float kd, float ld)
{
signed int l;
@@ -201,20 +265,22 @@ static double interpolate_phased_intensity(const double *ref,
f = ld - (float)l;
assert(f >= 0.0);
- val1 = interpolate_phased_bilinear(ref, phases, hd, kd, l);
- val2 = interpolate_phased_bilinear(ref, phases, hd, kd, l+1);
+ val1 = interpolate_phased_bilinear(ref, phases, flags, sym,
+ hd, kd, l);
+ val2 = interpolate_phased_bilinear(ref, phases, flags, sym,
+ hd, kd, l+1);
return cabs((1.0-f)*val1 + f*val2);
}
/* Look up the structure factor for the nearest Bragg condition */
-static double molecule_factor(const double *intensities,const double *phases,
- struct rvec q,
+static double molecule_factor(const double *intensities, const double *phases,
+ const unsigned char *flags, struct rvec q,
double ax, double ay, double az,
double bx, double by, double bz,
double cx, double cy, double cz,
- GradientMethod m)
+ GradientMethod m, const char *sym)
{
float hd, kd, ld;
signed int h, k, l;
@@ -224,6 +290,9 @@ static double molecule_factor(const double *intensities,const double *phases,
kd = q.u * bx + q.v * by + q.w * bz;
ld = q.u * cx + q.v * cy + q.w * cz;
+ /* No flags -> flat intensity distribution */
+ if ( flags == NULL ) return 1.0e5;
+
switch ( m ) {
case GRADIENT_MOSAIC :
h = (signed int)rint(hd);
@@ -232,14 +301,14 @@ static double molecule_factor(const double *intensities,const double *phases,
if ( abs(h) > INDMAX ) r = 0.0;
else if ( abs(k) > INDMAX ) r = 0.0;
else if ( abs(l) > INDMAX ) r = 0.0;
- else r = lookup_intensity(intensities, h, k, l);
+ else r = sym_lookup_intensity(intensities, flags, sym, h, k, l);
break;
case GRADIENT_INTERPOLATE :
- r = interpolate_intensity(intensities, hd, kd, ld);
+ r = interpolate_intensity(intensities, flags, sym, hd, kd, ld);
break;
case GRADIENT_PHASED :
- r = interpolate_phased_intensity(intensities, phases,
- hd, kd, ld);
+ r = interpolate_phased_intensity(intensities, phases, flags,
+ sym, hd, kd, ld);
break;
default:
ERROR("This gradient method not implemented yet.\n");
@@ -298,7 +367,8 @@ double water_diffraction(struct rvec q, double en,
void get_diffraction(struct image *image, int na, int nb, int nc,
const double *intensities, const double *phases,
- UnitCell *cell, int do_water, GradientMethod m)
+ const unsigned char *flags, UnitCell *cell, int do_water,
+ GradientMethod m, const char *sym)
{
unsigned int xs, ys;
double ax, ay, az;
@@ -353,10 +423,10 @@ void get_diffraction(struct image *image, int na, int nb, int nc,
I_molecule = 1.0e10;
} else {
I_molecule = molecule_factor(intensities,
- phases, q,
+ phases, flags, q,
ax,ay,az,
bx,by,bz,cx,cy,cz,
- m);
+ m, sym);
}
I_lattice = pow(f_lattice, 2.0);
diff --git a/src/diffraction.h b/src/diffraction.h
index 5a88bff7..607b066e 100644
--- a/src/diffraction.h
+++ b/src/diffraction.h
@@ -26,7 +26,8 @@ typedef enum {
} GradientMethod;
extern void get_diffraction(struct image *image, int na, int nb, int nc,
- const double *intensities,const double *phases,
- UnitCell *cell, int do_water, GradientMethod m);
+ const double *intensities, const double *phases,
+ const unsigned char *flags, UnitCell *cell,
+ int do_water, GradientMethod m, const char *sym);
#endif /* DIFFRACTION_H */
diff --git a/src/indexamajig.c b/src/indexamajig.c
index 28573f59..e99b1bd3 100644
--- a/src/indexamajig.c
+++ b/src/indexamajig.c
@@ -70,6 +70,8 @@ struct static_index_args
IndexingMethod indm;
IndexingPrivate *ipriv;
const double *intensities;
+ const unsigned char *flags;
+ const char *sym; /* Symmetry of "intensities" and "flags" */
struct gpu_context *gctx;
int gpu_dev;
int peaks;
@@ -191,6 +193,7 @@ static void show_help(const char *s)
"\nIf you used --simulate, you may also want:\n\n"
" --intensities=<file> Specify file containing reflection intensities\n"
" to use when simulating.\n"
+" -y, --symmetry=<sym> The symmetry of the intensities file.\n"
"\n"
"\nOptions for greater performance or verbosity:\n\n"
" --verbose Be verbose about indexing.\n"
@@ -275,22 +278,23 @@ static struct image *get_simage(struct image *template, int alternate)
static void simulate_and_write(struct image *simage, struct gpu_context **gctx,
- const double *intensities, UnitCell *cell,
- int gpu_dev)
+ const double *intensities,
+ const unsigned char *flags, UnitCell *cell,
+ int gpu_dev, const char *sym)
{
/* Set up GPU if necessary.
* Unfortunately, setup has to go here since until now we don't know
* enough about the situation. */
if ( (gctx != NULL) && (*gctx == NULL) ) {
- *gctx = setup_gpu(0, simage, intensities, gpu_dev);
+ *gctx = setup_gpu(0, simage, intensities, flags, gpu_dev);
}
if ( (gctx != NULL) && (*gctx != NULL) ) {
get_diffraction_gpu(*gctx, simage, 24, 24, 40, cell);
} else {
get_diffraction(simage, 24, 24, 40,
- intensities, NULL, cell, 0,
- GRADIENT_MOSAIC);
+ intensities, NULL, flags, cell, 0,
+ GRADIENT_MOSAIC, sym);
}
record_image(simage, 0);
@@ -321,7 +325,9 @@ static void process_image(void *pp, int cookie)
int config_polar = pargs->static_args.config_polar;
IndexingMethod indm = pargs->static_args.indm;
const double *intensities = pargs->static_args.intensities;
+ const unsigned char *flags = pargs->static_args.flags;
struct gpu_context *gctx = pargs->static_args.gctx;
+ const char *sym = pargs->static_args.sym;
image.features = NULL;
image.data = NULL;
@@ -428,13 +434,13 @@ static void process_image(void *pp, int cookie)
if ( config_simulate ) {
if ( config_gpu ) {
pthread_mutex_lock(pargs->static_args.gpu_mutex);
- simulate_and_write(simage, &gctx, intensities,
+ simulate_and_write(simage, &gctx, intensities, flags,
image.indexed_cell,
- pargs->static_args.gpu_dev);
+ pargs->static_args.gpu_dev, sym);
pthread_mutex_unlock(pargs->static_args.gpu_mutex);
} else {
- simulate_and_write(simage, NULL, intensities,
- image.indexed_cell, 0);
+ simulate_and_write(simage, NULL, intensities, flags,
+ image.indexed_cell, 0, sym);
}
}
@@ -539,6 +545,7 @@ int main(int argc, char *argv[])
char *indm_str = NULL;
UnitCell *cell;
double *intensities = NULL;
+ unsigned char *flags;
char *intfile = NULL;
char *pdb = NULL;
char *prefix = NULL;
@@ -557,6 +564,7 @@ int main(int argc, char *argv[])
struct beam_params *beam = NULL;
double nominal_photon_energy;
int gpu_dev = -1;
+ char *sym = NULL;
/* Long options */
const struct option longopts[] = {
@@ -579,6 +587,7 @@ int main(int argc, char *argv[])
{"verbose", 0, &config_verbose, 1},
{"alternate", 0, &config_alternate, 1},
{"intensities", 1, NULL, 'q'},
+ {"symmetry", 1, NULL, 'y'},
{"pdb", 1, NULL, 'p'},
{"prefix", 1, NULL, 'x'},
{"unpolarized", 0, &config_polar, 0},
@@ -595,7 +604,7 @@ int main(int argc, char *argv[])
};
/* Short options */
- while ((c = getopt_long(argc, argv, "hi:wp:j:x:g:t:o:b:",
+ while ((c = getopt_long(argc, argv, "hi:wp:j:x:g:t:o:b:y:",
longopts, NULL)) != -1) {
switch (c) {
@@ -639,6 +648,10 @@ int main(int argc, char *argv[])
threshold = strtof(optarg, NULL);
break;
+ case 'y' :
+ sym = strdup(optarg);
+ break;
+
case 'b' :
beam = get_beam_parameters(optarg);
if ( beam == NULL ) {
@@ -701,6 +714,8 @@ int main(int argc, char *argv[])
}
free(outfile);
+ if ( sym == NULL ) sym = strdup("1");
+
if ( speaks == NULL ) {
speaks = strdup("zaef");
STATUS("You didn't specify a peak detection method.\n");
@@ -717,12 +732,26 @@ int main(int argc, char *argv[])
free(speaks);
if ( intfile != NULL ) {
+
ReflItemList *items;
+ int i;
+
items = read_reflections(intfile, intensities,
NULL, NULL, NULL);
+
+ flags = new_list_flag();
+ for ( i=0; i<num_items(items); i++ ) {
+ struct refl_item *it = get_item(items, i);
+ set_flag(flags, it->h, it->k, it->l, 1);
+ }
+
delete_items(items);
+
} else {
+
intensities = NULL;
+ flags = NULL;
+
}
if ( pdb == NULL ) {
@@ -859,6 +888,8 @@ int main(int argc, char *argv[])
qargs.static_args.indm = indm;
qargs.static_args.ipriv = ipriv;
qargs.static_args.intensities = intensities;
+ qargs.static_args.flags = flags;
+ qargs.static_args.sym = sym;
qargs.static_args.gctx = gctx;
qargs.static_args.gpu_dev = gpu_dev;
qargs.static_args.peaks = peaks;
@@ -881,6 +912,7 @@ int main(int argc, char *argv[])
free(det);
cell_free(cell);
if ( fh != stdout ) fclose(fh);
+ free(sym);
STATUS("There were %i images. %i could be indexed, of which %i"
" looked sane.\n", n_images, qargs.n_indexable, qargs.n_sane);
diff --git a/src/pattern_sim.c b/src/pattern_sim.c
index b6fcd4e9..41dd3a26 100644
--- a/src/pattern_sim.c
+++ b/src/pattern_sim.c
@@ -68,6 +68,7 @@ static void show_help(const char *s)
" this invocation as the given filename.\n"
" -i, --intensities=<file> Specify file containing reflection intensities\n"
" (and phases) to use.\n"
+" -y, --symmetry=<sym> The symmetry of the intensities file.\n"
" -t, --gradients=<method> Use <method> for the calculation of shape\n"
" transform intensities. Choose from:\n"
" mosaic : Take the intensity of the nearest\n"
@@ -201,6 +202,7 @@ int main(int argc, char *argv[])
double *intensities;
char *rval;
double *phases;
+ unsigned char *flags;
int config_simdetails = 0;
int config_nearbragg = 0;
int config_randomquat = 0;
@@ -227,6 +229,7 @@ int main(int argc, char *argv[])
int random_size = 0;
double min_size = 0.0;
double max_size = 0.0;
+ char *sym = NULL;
/* Long options */
const struct option longopts[] = {
@@ -240,6 +243,7 @@ int main(int argc, char *argv[])
{"no-water", 0, &config_nowater, 1},
{"no-noise", 0, &config_nonoise, 1},
{"intensities", 1, NULL, 'i'},
+ {"symmetry", 1, NULL, 'y'},
{"powder", 1, NULL, 'w'},
{"gradients", 1, NULL, 't'},
{"pdb", 1, NULL, 'p'},
@@ -254,7 +258,7 @@ int main(int argc, char *argv[])
};
/* Short options */
- while ((c = getopt_long(argc, argv, "hrn:i:t:p:o:g:b:",
+ while ((c = getopt_long(argc, argv, "hrn:i:t:p:o:g:b:y:",
longopts, NULL)) != -1) {
switch (c) {
@@ -302,6 +306,10 @@ int main(int argc, char *argv[])
beamfile = strdup(optarg);
break;
+ case 'y' :
+ sym = strdup(optarg);
+ break;
+
case 2 :
gpu_dev = atoi(optarg);
break;
@@ -359,6 +367,8 @@ int main(int argc, char *argv[])
}
}
+ if ( sym == NULL ) sym = strdup("1");
+
if ( config_simdetails ) {
show_details();
return 0;
@@ -404,14 +414,20 @@ int main(int argc, char *argv[])
}
if ( intfile == NULL ) {
+
/* Gentle reminder */
STATUS("You didn't specify the file containing the ");
STATUS("reflection intensities (with --intensities).\n");
STATUS("I'll simulate a flat intensity distribution.\n");
intensities = NULL;
phases = NULL;
+ flags = NULL;
+
} else {
+
+ int i;
ReflItemList *items;
+
if ( grad == GRADIENT_PHASED ) {
phases = new_list_phase();
} else {
@@ -419,9 +435,16 @@ int main(int argc, char *argv[])
}
intensities = new_list_intensity();
phases = new_list_phase();
+ flags = new_list_flag();
items = read_reflections(intfile, intensities, phases,
NULL, NULL);
free(intfile);
+
+ for ( i=0; i<num_items(items); i++ ) {
+ struct refl_item *it = get_item(items, i);
+ set_flag(flags, it->h, it->k, it->l, 1);
+ }
+
delete_items(items);
}
@@ -516,12 +539,13 @@ int main(int argc, char *argv[])
if ( config_gpu ) {
if ( gctx == NULL ) {
gctx = setup_gpu(config_nosfac, &image,
- intensities, gpu_dev);
+ intensities, flags, gpu_dev);
}
get_diffraction_gpu(gctx, &image, na, nb, nc, cell);
} else {
get_diffraction(&image, na, nb, nc, intensities, phases,
- cell, !config_nowater, grad);
+ flags, cell, !config_nowater, grad,
+ sym);
}
if ( image.data == NULL ) {
ERROR("Diffraction calculation failed.\n");
@@ -599,6 +623,7 @@ skip:
free(intensities);
free(outfile);
free(filename);
+ free(sym);
return 0;
}
diff --git a/src/utils.h b/src/utils.h
index a8461d6a..1fbd5e4e 100644
--- a/src/utils.h
+++ b/src/utils.h
@@ -180,6 +180,11 @@ static inline double angle_between(double x1, double y1, double z1,
#define TYPE double
#include "list_tmp.h"
+/* As above, but for simple flags */
+#define LABEL(x) x##_flag
+#define TYPE unsigned char
+#include "list_tmp.h"
+
/* ----------- Reflection lists indexed by sequence (not indices) ----------- */
generated by cgit v1.2.3 (git 2.25.1) at 2024-11-15 18:42:15 +0000