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authorThomas White <taw@physics.org>2010-06-30 16:03:39 +0200
committerThomas White <taw@physics.org>2012-02-22 15:26:51 +0100
commit807987cf62ea62ed92ea182d696ebf29c0f5e922 (patch)
treeb26af403fb8cbe479a711c515a8d55fe3d3e0639
parent69b720921f2c43f86ac305c1aa8be90c195d3d4c (diff)
process_hkl: Get rid of --zone-axis, because we now have a better way
-rw-r--r--src/process_hkl.c24
1 files changed, 3 insertions, 21 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c
index 92ec9a04..485e874a 100644
--- a/src/process_hkl.c
+++ b/src/process_hkl.c
@@ -63,8 +63,6 @@ static void show_help(const char *s)
" analysis only after reading all the patterns.\n"
" -r, --rvsq Output lists of R vs |q| (\"Luzzatti plots\")\n"
" when analysing figures of merit.\n"
-" --zone-axis Output an [001] zone axis pattern each time the\n"
-" figures of merit are analysed.\n"
" --detwin Correlate each new pattern with the current\n"
" model and choose the best fitting out of the\n"
" allowable twins.\n"
@@ -149,7 +147,7 @@ static void write_RvsQ(const char *name, double *ref, double *trueref,
static void process_reflections(double *ref, unsigned int *counts,
double *trueref, unsigned int *truecounts,
unsigned int n_patterns,
- UnitCell *cell, int do_rvsq, int do_zoneaxis)
+ UnitCell *cell, int do_rvsq)
{
int j;
double mean_counts;
@@ -176,12 +174,6 @@ static void process_reflections(double *ref, unsigned int *counts,
write_RvsQ(name, ref, trueref, counts, scale, cell);
}
- if ( do_zoneaxis ) {
- char name[64];
- snprintf(name, 63, "ZA-%u.dat", n_patterns);
- write_reflections(name, counts, ref, NULL, 1, cell, 1);
- }
-
fh = fopen("results/convergence.dat", "a");
fprintf(fh, "%u %5.2f %5.2f\n", n_patterns, R*100.0, mean_counts);
fclose(fh);
@@ -245,7 +237,6 @@ int main(int argc, char *argv[])
int config_every = 1000;
int config_rvsq = 0;
int config_stopafter = 0;
- int config_zoneaxis = 0;
int config_sum = 0;
int config_detwin = 0;
int config_scale = 0;
@@ -269,7 +260,6 @@ int main(int argc, char *argv[])
{"output-every", 1, NULL, 'e'},
{"rvsq", 0, NULL, 'r'},
{"stop-after", 1, NULL, 's'},
- {"zone-axis", 0, &config_zoneaxis, 1},
{"compare-with", 0, NULL, 'c'},
{"sum", 0, &config_sum, 1},
{"detwin", 0, &config_detwin, 1},
@@ -426,8 +416,7 @@ int main(int argc, char *argv[])
process_reflections(model, model_counts,
trueref, truecounts,
n_patterns, cell,
- config_rvsq,
- config_zoneaxis);
+ config_rvsq);
}
if ( n_patterns == config_stopafter ) break;
@@ -469,8 +458,7 @@ int main(int argc, char *argv[])
if ( trueref != NULL ) {
process_reflections(model, model_counts, trueref, truecounts,
- n_patterns, cell, config_rvsq,
- config_zoneaxis);
+ n_patterns, cell, config_rvsq);
}
if ( output != NULL ) {
@@ -478,12 +466,6 @@ int main(int argc, char *argv[])
0, cell, 1);
}
- if ( config_zoneaxis ) {
- char name[64];
- snprintf(name, 63, "ZA-%u.dat", n_patterns);
- write_reflections(name, model_counts, model, NULL, 1, cell, 10);
- }
-
STATUS("There were %u patterns.\n", n_patterns);
STATUS("%i had no f0 valid value.\n", n_nof0);