diff options
author | Thomas White <taw@physics.org> | 2024-01-11 17:05:29 +0100 |
---|---|---|
committer | Thomas White <taw@physics.org> | 2024-01-11 17:05:29 +0100 |
commit | c2ba0eb77f0da8ba825ede18eb1c6e6d5bee424a (patch) | |
tree | 8d69267534f49752965a79cae7cc1a9ff3e31f8c | |
parent | ee91037250512f7fad13411799633e7cda99ac15 (diff) |
GUI: Write Millepede data into folder
-rw-r--r-- | src/gui_backend_local.c | 4 | ||||
-rw-r--r-- | src/gui_backend_slurm.c | 4 | ||||
-rw-r--r-- | src/gui_index.c | 8 | ||||
-rw-r--r-- | src/gui_index.h | 1 |
4 files changed, 16 insertions, 1 deletions
diff --git a/src/gui_backend_local.c b/src/gui_backend_local.c index 03761474..d2068250 100644 --- a/src/gui_backend_local.c +++ b/src/gui_backend_local.c @@ -534,6 +534,7 @@ static void *run_indexing(const char *job_title, gchar *files_rel_filename; gchar *stream_rel_filename; gchar *harvest_rel_filename; + gchar *mille_rel_filename; workdir = make_job_folder(job_title, job_notes); if ( workdir == NULL ) return NULL; @@ -555,6 +556,7 @@ static void *run_indexing(const char *job_title, files_rel_filename = relative_to_cwd(workdir, "files.lst"); stream_rel_filename = relative_to_cwd(workdir, "crystfel.stream"); harvest_rel_filename = relative_to_cwd(workdir, "parameters.json"); + mille_rel_filename = relative_to_cwd(workdir, "mille-data"); if ( !write_indexamajig_script(sc_rel_filename, proj->geom_filename, @@ -564,6 +566,7 @@ static void *run_indexing(const char *job_title, stdout_rel_filename, stderr_rel_filename, harvest_rel_filename, + mille_rel_filename, NULL, &proj->peak_search_params, &proj->indexing_params, @@ -598,6 +601,7 @@ static void *run_indexing(const char *job_title, free(stdout_rel_filename); free(stderr_rel_filename); free(harvest_rel_filename); + free(mille_rel_filename); return job; } diff --git a/src/gui_backend_slurm.c b/src/gui_backend_slurm.c index 3961a92d..f5ad31c5 100644 --- a/src/gui_backend_slurm.c +++ b/src/gui_backend_slurm.c @@ -797,6 +797,7 @@ static void *run_indexing(const char *job_title, gchar *files_rel_filename; gchar *stream_rel_filename; gchar *harvest_rel_filename; + gchar *mille_rel_filename; char *slurm_prologue; workdir = make_job_folder(job_title, job_notes); @@ -842,6 +843,7 @@ static void *run_indexing(const char *job_title, stdout_rel_filename = relative_to_cwd(workdir, "stdout-%a.log"); stderr_rel_filename = relative_to_cwd(workdir, "stderr-%a.log"); harvest_rel_filename = relative_to_cwd(workdir, "parameters.json"); + mille_rel_filename = relative_to_cwd(workdir, "mille-data"); slurm_prologue = sbatch_bits(&opts->common, job_title, array_inx, stdout_rel_filename, stderr_rel_filename); @@ -853,6 +855,7 @@ static void *run_indexing(const char *job_title, stream_rel_filename, NULL, NULL, harvest_rel_filename, + mille_rel_filename, serial_offs, &proj->peak_search_params, &proj->indexing_params, @@ -888,6 +891,7 @@ static void *run_indexing(const char *job_title, free(stdout_rel_filename); free(stderr_rel_filename); free(harvest_rel_filename); + free(mille_rel_filename); g_object_unref(workdir); return job; diff --git a/src/gui_index.c b/src/gui_index.c index 14f0906c..3241503c 100644 --- a/src/gui_index.c +++ b/src/gui_index.c @@ -851,6 +851,7 @@ static char **indexamajig_command_line(const char *geom_filename, const char *files_list, const char *stream_filename, const char *harvest_filename, + const char *mille_filename, const char *serial_start, struct peak_params *peak_search_params, struct index_params *indexing_params, @@ -1002,7 +1003,10 @@ static char **indexamajig_command_line(const char *geom_filename, if ( indexing_params->exclude_nonhits ) add_arg(args, n_args++, "--no-non-hits-in-stream"); if ( indexing_params->exclude_peaks ) add_arg(args, n_args++, "--no-peaks-in-stream"); if ( indexing_params->exclude_refls ) add_arg(args, n_args++, "--no-refls-in-stream"); - if ( indexing_params->millepede ) add_arg(args, n_args++, "--millepede"); + if ( indexing_params->millepede ) { + add_arg(args, n_args++, "--mille"); + add_arg_string(args, n_args++, "--mille-dir", mille_filename); + } if ( indexing_params->max_mille_level ) add_arg(args, n_args++, "--max-mille-level"); for ( i=0; i<indexing_params->n_metadata; i++ ) { add_arg_string(args, n_args++, "copy-header", @@ -1086,6 +1090,7 @@ int write_indexamajig_script(const char *script_filename, const char *stdout_filename, const char *stderr_filename, const char *harvest_filename, + const char *mille_filename, const char *serial_start, struct peak_params *peak_search_params, struct index_params *indexing_params, @@ -1102,6 +1107,7 @@ int write_indexamajig_script(const char *script_filename, files_list, stream_filename, harvest_filename, + mille_filename, serial_start, peak_search_params, indexing_params, diff --git a/src/gui_index.h b/src/gui_index.h index 2f5c1a56..33594e8e 100644 --- a/src/gui_index.h +++ b/src/gui_index.h @@ -51,6 +51,7 @@ extern int write_indexamajig_script(const char *script_filename, const char *stdout_filename, const char *stderr_filename, const char *harvest_filename, + const char *mille_filename, const char *serial_start, struct peak_params *peak_search_params, struct index_params *indexing_params, |