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authorThomas White <taw@physics.org>2021-04-21 12:03:25 +0200
committerThomas White <taw@physics.org>2021-04-21 12:03:25 +0200
commitb1d2949582c546934d8de33f49444d178d5f4853 (patch)
tree8c1a25a1aa709414700243bd66e991115b5f9639
parent2298cdfebbb9e2a88d86e9227fe0b38cb0afc800 (diff)
indexamajig: Set indexing,integration=null if we are not indexing at all
-rw-r--r--src/indexamajig.c65
1 files changed, 35 insertions, 30 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c
index 8d06e276..ea9c4519 100644
--- a/src/indexamajig.c
+++ b/src/indexamajig.c
@@ -205,36 +205,41 @@ static void write_harvest_file(struct index_args *args,
write_int(fh, 0, "min_num_peaks", args->min_peaks);
fprintf(fh, " },\n");
- fprintf(fh, " \"indexing\": {\n");
- write_methods(fh, "methods", args->ipriv);
- write_json_cell(fh, "target_cell", args->cell);
- write_float(fh, 1, "tolerance_a_percent", 100.0*args->tols[0]);
- write_float(fh, 1, "tolerance_b_percent", 100.0*args->tols[1]);
- write_float(fh, 1, "tolerance_c_percent", 100.0*args->tols[2]);
- write_float(fh, 1, "tolerance_alpha_deg", rad2deg(args->tols[3]));
- write_float(fh, 1, "tolerance_beta_deg", rad2deg(args->tols[4]));
- write_float(fh, 1, "tolerance_gamma_deg", rad2deg(args->tols[5]));
- write_bool(fh, 1, "multi_lattice", if_multi);
- write_bool(fh, 1, "refine", if_refine);
- write_bool(fh, 1, "retry", if_retry);
- write_bool(fh, 1, "check_peaks", if_peaks);
- write_bool(fh, 1, "check_cell", if_checkcell);
- write_float(fh, 1, "wavelength_estimate_m", args->wavelength_estimate);
- write_float(fh, 0, "clen_estimate_m", args->clen_estimate);
- fprintf(fh, " },\n");
-
- fprintf(fh, " \"integration\": {\n");
- tmp = str_integration_method(args->int_meth);
- write_str(fh, 1, "method", tmp);
- free(tmp);
- write_float(fh, 1, "radius_inner_px", args->ir_inn);
- write_float(fh, 1, "radius_middle_px", args->ir_mid);
- write_float(fh, 1, "radius_outer_px", args->ir_out);
- write_float(fh, 1, "push_res_invm", args->push_res);
- write_float(fh, 1, "fix_profile_radius_invm", nan_if_neg(args->fix_profile_r));
- write_float(fh, 1, "fix_divergence_rad", nan_if_neg(args->fix_divergence));
- write_bool(fh, 0, "overpredict", args->overpredict);
- fprintf(fh, " }\n"); /* NB No comma */
+ if ( args->ipriv == NULL ) {
+ fprintf(fh, " \"indexing\": null\n");
+ fprintf(fh, " \"integration\": null\n");
+ } else {
+ fprintf(fh, " \"indexing\": {\n");
+ write_methods(fh, "methods", args->ipriv);
+ write_json_cell(fh, "target_cell", args->cell);
+ write_float(fh, 1, "tolerance_a_percent", 100.0*args->tols[0]);
+ write_float(fh, 1, "tolerance_b_percent", 100.0*args->tols[1]);
+ write_float(fh, 1, "tolerance_c_percent", 100.0*args->tols[2]);
+ write_float(fh, 1, "tolerance_alpha_deg", rad2deg(args->tols[3]));
+ write_float(fh, 1, "tolerance_beta_deg", rad2deg(args->tols[4]));
+ write_float(fh, 1, "tolerance_gamma_deg", rad2deg(args->tols[5]));
+ write_bool(fh, 1, "multi_lattice", if_multi);
+ write_bool(fh, 1, "refine", if_refine);
+ write_bool(fh, 1, "retry", if_retry);
+ write_bool(fh, 1, "check_peaks", if_peaks);
+ write_bool(fh, 1, "check_cell", if_checkcell);
+ write_float(fh, 1, "wavelength_estimate_m", args->wavelength_estimate);
+ write_float(fh, 0, "clen_estimate_m", args->clen_estimate);
+ fprintf(fh, " },\n");
+
+ fprintf(fh, " \"integration\": {\n");
+ tmp = str_integration_method(args->int_meth);
+ write_str(fh, 1, "method", tmp);
+ free(tmp);
+ write_float(fh, 1, "radius_inner_px", args->ir_inn);
+ write_float(fh, 1, "radius_middle_px", args->ir_mid);
+ write_float(fh, 1, "radius_outer_px", args->ir_out);
+ write_float(fh, 1, "push_res_invm", args->push_res);
+ write_float(fh, 1, "fix_profile_radius_invm", nan_if_neg(args->fix_profile_r));
+ write_float(fh, 1, "fix_divergence_rad", nan_if_neg(args->fix_divergence));
+ write_bool(fh, 0, "overpredict", args->overpredict);
+ fprintf(fh, " }\n"); /* NB No comma */
+ }
fprintf(fh, "}\n");