aboutsummaryrefslogtreecommitdiff
path: root/src
diff options
context:
space:
mode:
authorThomas White <taw@physics.org>2017-07-06 17:06:52 +0200
committerThomas White <taw@physics.org>2017-07-06 17:25:40 +0200
commit5bf72b123cb582f63652e32420d4fbe748cbb8d2 (patch)
treee70678eb192cf6169757d7a80235fb429d92303a /src
parent92d00d19d5b4a6b72a35183bea6a83a4062e5eca (diff)
indexamajig: Add TakeTwo-specific options
Diffstat (limited to 'src')
-rw-r--r--src/indexamajig.c51
-rw-r--r--src/process_image.h2
2 files changed, 51 insertions, 2 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c
index ce87fde6..33eed81f 100644
--- a/src/indexamajig.c
+++ b/src/indexamajig.c
@@ -62,7 +62,7 @@
#include "reflist-utils.h"
#include "cell-utils.h"
#include "integration.h"
-
+#include "taketwo.h"
#include "im-sandbox.h"
@@ -171,6 +171,11 @@ static void show_help(const char *s)
" Given as a list of comma separated list of \n"
" indexer specific, key word arguments.\n"
" Example: \"arg1=10,arg2=500\" \n"
+"\nLow-level options for the TakeTwo indexer:\n\n"
+" --taketwo-member-threshold Minimum number of members in network\n"
+" --taketwo-len-tolerance Reciprocal space length tolerance (1/A)\n"
+" --taketwo-angle-tolerance Reciprocal space angle tolerance (in degrees)\n"
+" --taketwo-trace-tolerance Rotation matrix trace tolerance\n"
);
}
@@ -276,6 +281,10 @@ int main(int argc, char *argv[])
iargs.fix_divergence = -1.0;
iargs.felix_options = NULL;
iargs.profile = 0;
+ iargs.taketwo_opts.member_thresh = -1;
+ iargs.taketwo_opts.len_tol = -1.0;
+ iargs.taketwo_opts.angle_tol = -1.0;
+ iargs.taketwo_opts.trace_tol = -1.0;
/* Long options */
const struct option longopts[] = {
@@ -344,6 +353,10 @@ int main(int argc, char *argv[])
{"min-res", 1, NULL, 29},
{"max-res", 1, NULL, 30},
{"min-peaks", 1, NULL, 31},
+ {"taketwo-member-thresh", 1, NULL, 32},
+ {"taketwo-len-tol", 1, NULL, 33},
+ {"taketwo-angle-tol", 1, NULL, 34},
+ {"taketwo-trace-tol", 1, NULL, 35},
{0, 0, NULL, 0}
};
@@ -551,6 +564,39 @@ int main(int argc, char *argv[])
iargs.min_peaks = atoi(optarg);
break;
+ case 32:
+ if ( sscanf(optarg, "%i", &iargs.taketwo_opts.member_thresh) != 1 )
+ {
+ ERROR("Invalid value for --taketwo-member-threshold\n");
+ return 1;
+ }
+ break;
+
+ case 33:
+ if ( sscanf(optarg, "%lf", &iargs.taketwo_opts.len_tol) != 1 )
+ {
+ ERROR("Invalid value for --taketwo-len-tolerance\n");
+ return 1;
+ }
+ break;
+
+ case 34:
+ if ( sscanf(optarg, "%lf", &iargs.taketwo_opts.angle_tol) != 1 )
+ {
+ ERROR("Invalid value for --taketwo-angle-tolerance\n");
+ return 1;
+ }
+ break;
+
+
+ case 35:
+ if ( sscanf(optarg, "%lf", &iargs.taketwo_opts.trace_tol) != 1 )
+ {
+ ERROR("Invalid value for --taketwo-trace-tolerance\n");
+ return 1;
+ }
+ break;
+
case 0 :
break;
@@ -803,7 +849,8 @@ int main(int argc, char *argv[])
iargs.ipriv = setup_indexing(indm_str, iargs.cell, iargs.det,
iargs.tols, no_refine,
- iargs.felix_options);
+ iargs.felix_options,
+ &iargs.taketwo_opts);
if ( iargs.ipriv == NULL ) {
ERROR("Failed to set up indexing system\n");
return 1;
diff --git a/src/process_image.h b/src/process_image.h
index ec51c188..3e87b922 100644
--- a/src/process_image.h
+++ b/src/process_image.h
@@ -39,6 +39,7 @@ struct index_args;
#include "integration.h"
#include "im-sandbox.h"
#include "time-accounts.h"
+#include "taketwo.h"
enum {
@@ -100,6 +101,7 @@ struct index_args
float fix_divergence;
char *felix_options;
int profile; /* Whether or not to do wall clock profiling */
+ struct taketwo_options taketwo_opts;
};