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authorThomas White <taw@physics.org>2011-07-18 18:21:30 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:33 +0100
commit599c277480ee1d3d5a1a2ffb486e855b845c0dbe (patch)
tree668685308cca58d126b11d10f98eb256c7dac0f6 /src/diffraction.c
parent33077f930ed81d70081a95edb7d7004390fa4047 (diff)
Compiles (with warnings)
Diffstat (limited to 'src/diffraction.c')
-rw-r--r--src/diffraction.c29
1 files changed, 15 insertions, 14 deletions
diff --git a/src/diffraction.c b/src/diffraction.c
index 0c90f556..aa04fd52 100644
--- a/src/diffraction.c
+++ b/src/diffraction.c
@@ -93,20 +93,21 @@ static double lattice_factor(struct rvec q, double ax, double ay, double az,
static double sym_lookup_intensity(const double *intensities,
- const unsigned char *flags, const char *sym,
+ const unsigned char *flags,
+ const SymOpList *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++ ) {
+ for ( i=0; i<num_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);
+ get_equiv(sym, i, h, k, l, &he, &ke, &le);
f = (double)lookup_flag(flags, he, ke, le);
val = lookup_intensity(intensities, he, ke, le);
@@ -120,20 +121,20 @@ static double sym_lookup_intensity(const double *intensities,
static double sym_lookup_phase(const double *phases,
- const unsigned char *flags, const char *sym,
+ const unsigned char *flags, const SymOpList *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++ ) {
+ for ( i=0; i<num_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);
+ get_equiv(sym, i, h, k, l, &he, &ke, &le);
f = (double)lookup_flag(flags, he, ke, le);
val = lookup_phase(phases, he, ke, le);
@@ -147,7 +148,7 @@ static double sym_lookup_phase(const double *phases,
static double interpolate_linear(const double *ref, const unsigned char *flags,
- const char *sym, float hd,
+ const SymOpList *sym, float hd,
signed int k, signed int l)
{
signed int h;
@@ -170,7 +171,7 @@ static double interpolate_linear(const double *ref, const unsigned char *flags,
static double interpolate_bilinear(const double *ref,
- const unsigned char *flags, const char *sym,
+ const unsigned char *flags, const SymOpList *sym,
float hd, float kd, signed int l)
{
signed int k;
@@ -190,7 +191,7 @@ static double interpolate_bilinear(const double *ref,
static double interpolate_intensity(const double *ref,
- const unsigned char *flags, const char *sym,
+ const unsigned char *flags, const SymOpList *sym,
float hd, float kd, float ld)
{
signed int l;
@@ -212,7 +213,7 @@ 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,
+ const SymOpList *sym,
float hd,
signed int k, signed int l)
{
@@ -252,7 +253,7 @@ 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,
+ const SymOpList *sym,
float hd, float kd,
signed int l)
{
@@ -275,7 +276,7 @@ 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,
+ const SymOpList *sym,
float hd, float kd, float ld)
{
signed int l;
@@ -302,7 +303,7 @@ static double molecule_factor(const double *intensities, const double *phases,
double ax, double ay, double az,
double bx, double by, double bz,
double cx, double cy, double cz,
- GradientMethod m, const char *sym)
+ GradientMethod m, const SymOpList *sym)
{
float hd, kd, ld;
signed int h, k, l;
@@ -345,7 +346,7 @@ static double molecule_factor(const double *intensities, const double *phases,
void get_diffraction(struct image *image, int na, int nb, int nc,
const double *intensities, const double *phases,
const unsigned char *flags, UnitCell *cell,
- GradientMethod m, const char *sym)
+ GradientMethod m, const SymOpList *sym)
{
unsigned int fs, ss;
double ax, ay, az;