diff options
| author | Thomas White <taw@physics.org> | 2021-04-21 11:05:07 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2021-04-21 11:05:07 +0200 |
| commit | 184f24b115c0e7f57bf71b289a2f4e3bb472641c (patch) | |
| tree | f7876551bda77cfa638e011905c61fc975e73e85 | |
| parent | dbabc8553982beb8c4b02eb44d6ae9c83223b586 (diff) | |
indexamajig --harvest-file: Handle no cell or no indexing methods
| -rw-r--r-- | src/indexamajig.c | 44 |
1 files changed, 25 insertions, 19 deletions
diff --git a/src/indexamajig.c b/src/indexamajig.c index 2d4abee1..f2852c99 100644 --- a/src/indexamajig.c +++ b/src/indexamajig.c @@ -116,20 +116,24 @@ static void write_json_cell(FILE *fh, const char *name, UnitCell *cell) double a, b, c, al, be, ga; cell_get_parameters(cell, &a, &b, &c, &al, &be, &ga); - fprintf(fh, " \"%s\": {\n", name); - fprintf(fh, " \"lattice_type\": \"%s\",\n", - str_lattice(cell_get_lattice_type(cell))); - fprintf(fh, " \"centering\": \"%c\",\n", - cell_get_centering(cell)); - fprintf(fh, " \"unique_axis\": \"%c\",\n", - cell_get_unique_axis(cell)); - fprintf(fh, " \"a_Angstrom\": %f,\n", a*1e10); - fprintf(fh, " \"b_Angstrom\": %f,\n", b*1e10); - fprintf(fh, " \"c_Angstrom\": %f,\n", c*1e10); - fprintf(fh, " \"alpha_deg\": %f,\n", rad2deg(al)); - fprintf(fh, " \"beta_deg\": %f,\n", rad2deg(be)); - fprintf(fh, " \"gamma_deg\": %f\n", rad2deg(ga)); /* NB No comma */ - fprintf(fh, " },\n"); + if ( cell == NULL ) { + fprintf(fh, " \"%s\": null,\n", name); + } else { + fprintf(fh, " \"%s\": {\n", name); + fprintf(fh, " \"lattice_type\": \"%s\",\n", + str_lattice(cell_get_lattice_type(cell))); + fprintf(fh, " \"centering\": \"%c\",\n", + cell_get_centering(cell)); + fprintf(fh, " \"unique_axis\": \"%c\",\n", + cell_get_unique_axis(cell)); + fprintf(fh, " \"a_Angstrom\": %f,\n", a*1e10); + fprintf(fh, " \"b_Angstrom\": %f,\n", b*1e10); + fprintf(fh, " \"c_Angstrom\": %f,\n", c*1e10); + fprintf(fh, " \"alpha_deg\": %f,\n", rad2deg(al)); + fprintf(fh, " \"beta_deg\": %f,\n", rad2deg(be)); + fprintf(fh, " \"gamma_deg\": %f\n", rad2deg(ga)); /* NB No comma */ + fprintf(fh, " },\n"); + } } @@ -140,11 +144,13 @@ static void write_methods(FILE *fh, const char *name, IndexingPrivate *ipriv) fprintf(fh, " \"%s\": [", name); - methods = indexing_methods(ipriv, &n); - for ( i=0; i<n; i++ ) { - fprintf(fh, " \"%s\"", indexer_str(methods[i])); - if ( i < n-1 ) { - fprintf(fh, ","); + if ( ipriv != NULL ) { + methods = indexing_methods(ipriv, &n); + for ( i=0; i<n; i++ ) { + fprintf(fh, " \"%s\"", indexer_str(methods[i])); + if ( i < n-1 ) { + fprintf(fh, ","); + } } } fprintf(fh, " ],\n"); |