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authorThomas White <taw@physics.org>2021-07-14 16:14:57 +0200
committerThomas White <taw@physics.org>2021-07-14 16:42:38 +0200
commite6401573d89496fd2bc923175e2aa0ee11704533 (patch)
tree120d09e0594975782ce36ba74450c58d53b6db6d /src/gui_project.c
parent1a10c864ab5993ebc5c31727c9dfcb3dbeb95258 (diff)
GUI: Add PinkIndexer options to 'struct index_params'
Diffstat (limited to 'src/gui_project.c')
-rw-r--r--src/gui_project.c67
1 files changed, 67 insertions, 0 deletions
diff --git a/src/gui_project.c b/src/gui_project.c
index c3e40297..315a929d 100644
--- a/src/gui_project.c
+++ b/src/gui_project.c
@@ -266,6 +266,42 @@ static void parse_indexing_opt(const char *key, const char *val,
if ( strcmp(key, "indexing.min_peaks") == 0 ) {
proj->indexing_params.min_peaks = parse_int(val);
}
+
+ if ( strcmp(key, "indexing.pinkindexer.cpeaks") == 0 ) {
+ proj->indexing_params.pinkindexer_cpeaks = parse_int(val);
+ }
+
+ if ( strcmp(key, "indexing.pinkindexer.use_max_res") == 0 ) {
+ proj->indexing_params.pinkindexer_use_max_res = parse_int(val);
+ }
+
+ if ( strcmp(key, "indexing.pinkindexer.max_res") == 0 ) {
+ proj->indexing_params.pinkindexer_max_res = parse_float(val);
+ }
+
+ if ( strcmp(key, "indexing.pinkindexer.angle_density") == 0 ) {
+ proj->indexing_params.pinkindexer_angle_density = parse_int(val);
+ }
+
+ if ( strcmp(key, "indexing.pinkindexer.refinement_type") == 0 ) {
+ proj->indexing_params.pinkindexer_refinement_type = parse_int(val);
+ }
+
+ if ( strcmp(key, "indexing.pinkindexer.tolerance") == 0 ) {
+ proj->indexing_params.pinkindexer_tolerance = parse_float(val);
+ }
+
+ if ( strcmp(key, "indexing.pinkindexer.use_refl_radius") == 0 ) {
+ proj->indexing_params.pinkindexer_use_refl_radius = parse_int(val);
+ }
+
+ if ( strcmp(key, "indexing.pinkindexer.refl_radius") == 0 ) {
+ proj->indexing_params.pinkindexer_refl_radius = parse_float(val);
+ }
+
+ if ( strcmp(key, "indexing.pinkindexer.max_imbalance") == 0 ) {
+ proj->indexing_params.pinkindexer_max_imbalance = parse_float(val);
+ }
}
@@ -956,6 +992,27 @@ int save_project(struct crystfelproject *proj)
be->write_indexing_opts(be->indexing_opts_priv, fh);
}
+ /* PinkIndexer-specific */
+ fprintf(fh, "indexing.pinkindexer.cpeaks %i\n",
+ proj->indexing_params.pinkindexer_cpeaks);
+ fprintf(fh, "indexing.pinkindexer.use_max_res %i\n",
+ proj->indexing_params.pinkindexer_use_max_res);
+ fprintf(fh, "indexing.pinkindexer.max_res %f\n",
+ proj->indexing_params.pinkindexer_max_res);
+ fprintf(fh, "indexing.pinkindexer.angle_density %i\n",
+ proj->indexing_params.pinkindexer_angle_density);
+ fprintf(fh, "indexing.pinkindexer.refinement_type %i\n",
+ proj->indexing_params.pinkindexer_refinement_type);
+ fprintf(fh, "indexing.pinkindexer.tolerance %f\n",
+ proj->indexing_params.pinkindexer_tolerance);
+ fprintf(fh, "indexing.pinkindexer.use_refl_radius %i\n",
+ proj->indexing_params.pinkindexer_use_refl_radius);
+ fprintf(fh, "indexing.pinkindexer.refl_radius %f\n",
+ proj->indexing_params.pinkindexer_refl_radius);
+ fprintf(fh, "indexing.pinkindexer.max_imbalance %f\n",
+ proj->indexing_params.pinkindexer_max_imbalance);
+
+ /* Integration */
fprintf(fh, "integration.method %s\n",
proj->indexing_params.integration_method);
fprintf(fh, "integration.overpredict %i\n",
@@ -1215,6 +1272,16 @@ int default_project(struct crystfelproject *proj)
proj->indexing_params.use_fix_profile_radius = 0;
proj->indexing_params.fix_divergence = 0.0;
+ proj->indexing_params.pinkindexer_cpeaks = 4;
+ proj->indexing_params.pinkindexer_use_max_res = 0;
+ proj->indexing_params.pinkindexer_max_res = 2.5; /* Angstroms */
+ proj->indexing_params.pinkindexer_angle_density = 2;
+ proj->indexing_params.pinkindexer_refinement_type = 1;
+ proj->indexing_params.pinkindexer_tolerance = 0.06;
+ proj->indexing_params.pinkindexer_use_refl_radius = 0;
+ proj->indexing_params.pinkindexer_refl_radius = 0.003;
+ proj->indexing_params.pinkindexer_max_imbalance = 0.4;
+
proj->ambi_params.use_res = 1;
proj->ambi_params.res_min = 20; /* Angstroms */
proj->ambi_params.res_max = 4; /* Angstroms */