diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/indexamajig.c | 54 | ||||
| -rw-r--r-- | src/process_image.h | 2 |
2 files changed, 54 insertions, 2 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index ce87fde6..d232b66f 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 equivalence tolerance (in degrees)\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 +564,42 @@ 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; + } + iargs.taketwo_opts.len_tol *= 1e10; + break; + + case 34: + if ( sscanf(optarg, "%lf", &iargs.taketwo_opts.angle_tol) != 1 ) + { + ERROR("Invalid value for --taketwo-angle-tolerance\n"); + return 1; + } + iargs.taketwo_opts.angle_tol = deg2rad(iargs.taketwo_opts.angle_tol); + break; + + + case 35: + if ( sscanf(optarg, "%lf", &iargs.taketwo_opts.trace_tol) != 1 ) + { + ERROR("Invalid value for --taketwo-trace-tolerance\n"); + return 1; + } + iargs.taketwo_opts.trace_tol = deg2rad(iargs.taketwo_opts.trace_tol); + break; + case 0 : break; @@ -803,7 +852,8 @@ 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; }; |