diff options
| author | Thomas White <taw@physics.org> | 2020-07-10 15:12:23 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2020-07-29 18:53:45 +0200 |
| commit | 6c3b71214cbce3de1d12c4cd2f12d68a96bccfab (patch) | |
| tree | 83ec9880718d389f534d3a5a3f6bf7c39ae4b050 /src | |
| parent | 465f36e8fa43e371142ee6861c56403f13e7d12d (diff) | |
partialator/process_hkl: Use geometry
Diffstat (limited to 'src')
| -rw-r--r-- | src/partialator.c | 19 | ||||
| -rw-r--r-- | src/process_hkl.c | 25 |
2 files changed, 38 insertions, 6 deletions
diff --git a/src/partialator.c b/src/partialator.c index a9930d9e..1f87e6b8 100644 --- a/src/partialator.c +++ b/src/partialator.c @@ -945,6 +945,8 @@ int main(int argc, char *argv[]) PartialityModel pmodel = PMODEL_XSPHERE; int min_measurements = 2; char *rval; + const char *geom_str; + DataTemplate *dtempl; struct polarisation polarisation = {.fraction = 1.0, .angle = 0.0, .disable = 0}; @@ -1217,6 +1219,19 @@ int main(int argc, char *argv[]) return 1; } + geom_str = stream_geometry_file(st); + if ( geom_str == NULL ) { + ERROR("No geometry file\n"); + stream_close(st); + return 1; + } + + dtempl = data_template_new_from_string(geom_str); + if ( dtempl == NULL ) { + stream_close(st); + return 1; + } + if ( outfile == NULL ) { outfile = strdup("partialator.hkl"); } @@ -1375,8 +1390,8 @@ int main(int argc, char *argv[]) RefList *as; int i; - image = stream_read_chunk(st, NULL, STREAM_REFLECTIONS - | STREAM_UNITCELL); + image = stream_read_chunk(st, dtempl, STREAM_REFLECTIONS + | STREAM_UNITCELL); if ( image == NULL ) break; if ( isnan(image->div) || isnan(image->bw) ) { diff --git a/src/process_hkl.c b/src/process_hkl.c index 4fe1dbeb..b840f4ce 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -395,7 +395,8 @@ static void display_progress(int n_images, int n_crystals, int n_crystals_used) } -static int merge_all(Stream *st, RefList *model, RefList *reference, +static int merge_all(Stream *st, DataTemplate *dtempl, + RefList *model, RefList *reference, const SymOpList *sym, double **hist_vals, signed int hist_h, signed int hist_k, signed int hist_l, @@ -428,7 +429,7 @@ static int merge_all(Stream *st, RefList *model, RefList *reference, int i; /* Get data from next chunk */ - image = stream_read_chunk(st, NULL, + image = stream_read_chunk(st, dtempl, STREAM_REFLECTIONS | STREAM_UNITCELL); if ( image == NULL ) break; @@ -514,6 +515,8 @@ int main(int argc, char *argv[]) int hist_i; int space_for_hist = 0; char *histo_params = NULL; + const char *geom_str; + DataTemplate *dtempl; struct polarisation polarisation = {.fraction = 1.0, .angle = 0.0, .disable = 0}; @@ -723,6 +726,19 @@ int main(int argc, char *argv[]) return 1; } + geom_str = stream_geometry_file(st); + if ( geom_str == NULL ) { + ERROR("No geometry file found in stream\n"); + stream_close(st); + return 1; + } + + dtempl = data_template_new_from_string(geom_str); + if ( dtempl == NULL ) { + stream_close(st); + return 1; + } + model = reflist_new(); if ( histo != NULL ) { @@ -779,7 +795,8 @@ int main(int argc, char *argv[]) if ( config_scale ) twopass = 1; hist_i = 0; - r = merge_all(st, model, NULL, sym, &hist_vals, hist_h, hist_k, hist_l, + r = merge_all(st, dtempl, model, NULL, sym, + &hist_vals, hist_h, hist_k, hist_l, &hist_i, polarisation, min_measurements, min_snr, max_adu, start_after, stop_after, min_res, push_res, min_cc, config_scale, flag_even_odd, stat_output); @@ -813,7 +830,7 @@ int main(int argc, char *argv[]) hist_i = 0; } - r = merge_all(st, model, reference, sym, &hist_vals, + r = merge_all(st, dtempl, model, reference, sym, &hist_vals, hist_h, hist_k, hist_l, &hist_i, polarisation, min_measurements, min_snr, max_adu, start_after, stop_after, min_res, |