diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/indexamajig.c | 25 |
1 files changed, 25 insertions, 0 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index 2d584726..b19af80a 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -185,6 +185,9 @@ static void show_help(const char *s) " --xgandalf-grad-desc-iterations\n" " Gradient descent iterations: 0 (few) to 5 (many)\n" " Default: 4\n" +" --xgandalf-fast-execution Shortcut to set\n" +" --xgandalf-sampling-pitch=2\n" +" --xgandalf-grad-desc-iterations=3\n" " --xgandalf-tolerance Relative tolerance of the lattice vectors.\n" " Default is 0.02\n" " --xgandalf-no-deviation-from-provided-cell\n" @@ -196,6 +199,10 @@ static void show_help(const char *s) " --xgandalf-max-lattice-vector-length\n" " Maximum possible lattice vector length in A.\n" " Default: 250 A\n" +" --xgandalf-max-peaks\n" +" Maximum number of peaks used for indexing.\n" +" All peaks are used for refinement.\n" +" Default: 250\n" "\n" "\nIntegration options:\n\n" " --integration=<meth> Integration method (rings,prof2d)-(cen,nocen)\n" @@ -407,6 +414,7 @@ int main(int argc, char *argv[]) iargs.xgandalf_opts.no_deviation_from_provided_cell = 0; iargs.xgandalf_opts.minLatticeVectorLength_A = 30; iargs.xgandalf_opts.maxLatticeVectorLength_A = 250; + iargs.xgandalf_opts.maxPeaksForIndexing = 250; iargs.felix_opts.ttmin = -1.0; iargs.felix_opts.ttmax = -1.0; iargs.felix_opts.min_visits = 0; @@ -534,6 +542,8 @@ int main(int argc, char *argv[]) {"wait-for-file", 1, NULL, 358}, {"min-squared-gradient",1,NULL, 359}, {"min-sq-gradient", 1, NULL, 359}, /* compat */ + {"xgandalf-fast-execution", 0, NULL, 360}, + {"xgandalf-max-peaks", 1, NULL, 361}, {0, 0, NULL, 0} }; @@ -942,6 +952,21 @@ int main(int argc, char *argv[]) iargs.min_sq_gradient = strtof(optarg, NULL); break; + case 360: + iargs.xgandalf_opts.sampling_pitch = 2; + iargs.xgandalf_opts.grad_desc_iterations = 3; + break; + + case 361: + if (sscanf(optarg, "%i", + &iargs.xgandalf_opts.maxPeaksForIndexing) != 1) + { + ERROR("Invalid value for " + "--xgandalf-max-peaks\n"); + return 1; + } + break; + case 0 : break; |