diff options
| author | Thomas White <taw@physics.org> | 2014-09-19 16:19:55 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2014-09-19 16:23:39 +0200 |
| commit | 142e1ad4e0fad73d223c67a842dfb9728a3bf34c (patch) | |
| tree | 90e6871f6281a373147000a6aaebfb1e0014bb32 /libcrystfel/src/dirax.c | |
| parent | 75befca053175140143e916337530b77a5fa4f8f (diff) | |
Remove cell_set_cartesian_{a,b,c}() from API
Diffstat (limited to 'libcrystfel/src/dirax.c')
| -rw-r--r-- | libcrystfel/src/dirax.c | 54 |
1 files changed, 32 insertions, 22 deletions
diff --git a/libcrystfel/src/dirax.c b/libcrystfel/src/dirax.c index e61a4bfb..4c674313 100644 --- a/libcrystfel/src/dirax.c +++ b/libcrystfel/src/dirax.c @@ -3,11 +3,11 @@ * * Invoke the DirAx auto-indexing program * - * Copyright © 2012-2013 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2014 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: - * 2010-2013 Thomas White <taw@physics.org> + * 2010-2014 Thomas White <taw@physics.org> * * This file is part of CrystFEL. * @@ -93,10 +93,19 @@ struct dirax_data { int best_acl_nh; int acls_tried[MAX_DIRAX_CELL_CANDIDATES]; int n_acls_tried; - UnitCell *cur_cell; int done; int success; + float ax; + float ay; + float az; + float bx; + float by; + float bz; + float cx; + float cy; + float cz; + struct dirax_private *dp; }; @@ -174,7 +183,6 @@ static void dirax_parseline(const char *line, struct image *image, if ( line[i] == 'R' ) rf = 1; if ( (line[i] == 'D') && rf ) { dirax->read_cell = 1; - dirax->cur_cell = cell_new(); return; } i++; @@ -184,66 +192,68 @@ static void dirax_parseline(const char *line, struct image *image, if ( dirax->read_cell == 1 ) { /* First row of unit cell values */ - float ax, ay, az; int r; r = sscanf(line, "%f %f %f %f %f %f", - &d, &d, &d, &ax, &ay, &az); + &d, &d, &d, &dirax->ax, &dirax->ay, &dirax->az); if ( r != 6 ) { ERROR("Couldn't understand cell line:\n"); ERROR("'%s'\n", line); dirax->read_cell = 0; - cell_free(dirax->cur_cell); return; } - cell_set_cartesian_a(dirax->cur_cell, - ax*1e-10, ay*1e-10, az*1e-10); + dirax->ax *= 1e-10; + dirax->ay *= 1e-10; + dirax->az *= 1e-10; dirax->read_cell++; return; } else if ( dirax->read_cell == 2 ) { /* Second row of unit cell values */ - float bx, by, bz; int r; r = sscanf(line, "%f %f %f %f %f %f", - &d, &d, &d, &bx, &by, &bz); + &d, &d, &d, &dirax->bx, &dirax->by, &dirax->bz); if ( r != 6 ) { ERROR("Couldn't understand cell line:\n"); ERROR("'%s'\n", line); dirax->read_cell = 0; - cell_free(dirax->cur_cell); return; } - cell_set_cartesian_b(dirax->cur_cell, - bx*1e-10, by*1e-10, bz*1e-10); + dirax->bx *= 1e-10; + dirax->by *= 1e-10; + dirax->bz *= 1e-10; dirax->read_cell++; return; } else if ( dirax->read_cell == 3 ) { /* Third row of unit cell values */ - float cx, cy, cz; int r; + UnitCell *cell; + r = sscanf(line, "%f %f %f %f %f %f", - &d, &d, &d, &cx, &cy, &cz); + &d, &d, &d, &dirax->cx, &dirax->cy, &dirax->cz); if ( r != 6 ) { ERROR("Couldn't understand cell line:\n"); ERROR("'%s'\n", line); dirax->read_cell = 0; - cell_free(dirax->cur_cell); return; } - cell_set_cartesian_c(dirax->cur_cell, - cx*1e-10, cy*1e-10, cz*1e-10); + dirax->cx *= 1e-10; + dirax->cy *= 1e-10; + dirax->cz *= 1e-10; dirax->read_cell = 0; + cell = cell_new(); + cell_set_cartesian(cell, dirax->ax, dirax->ay, dirax->az, + dirax->bx, dirax->by, dirax->bz, + dirax->cx, dirax->cy, dirax->cz); + /* Finished reading a cell. Time to check it... */ - if ( check_cell(dirax->dp, image, dirax->cur_cell) ) { + if ( check_cell(dirax->dp, image, cell) ) { dirax->done = 1; dirax->success = 1; } - cell_free(dirax->cur_cell); - dirax->cur_cell = NULL; return; |