diff options
Diffstat (limited to 'libcrystfel/src/cell-utils.c')
| -rw-r--r-- | libcrystfel/src/cell-utils.c | 19 |
1 files changed, 14 insertions, 5 deletions
diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c index 5fc885e5..75419c99 100644 --- a/libcrystfel/src/cell-utils.c +++ b/libcrystfel/src/cell-utils.c @@ -3,13 +3,13 @@ * * Unit Cell utility functions * - * Copyright © 2012-2014 Deutsches Elektronen-Synchrotron DESY, + * Copyright © 2012-2015 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * Copyright © 2012 Lorenzo Galli * * Authors: - * 2009-2012,2014 Thomas White <taw@physics.org> - * 2012 Lorenzo Galli + * 2009-2012,2014-2015 Thomas White <taw@physics.org> + * 2012 Lorenzo Galli * * This file is part of CrystFEL. * @@ -606,10 +606,12 @@ UnitCell *match_cell(UnitCell *cell_in, UnitCell *template_in, int verbose, /* "Un-center" the template unit cell to make the comparison easier */ template = uncenter_cell(template_in, &uncentering); + if ( template == NULL ) return NULL; /* The candidate cell is also uncentered, because it might be centered * if it came from (e.g.) MOSFLM */ cell = uncenter_cell(cell_in, NULL); + if ( cell == NULL ) return NULL; if ( cell_get_reciprocal(template, &asx, &asy, &asz, &bsx, &bsy, &bsz, @@ -1090,8 +1092,9 @@ static void determine_lattice(UnitCell *cell, /** * load_cell_from_pdb: + * @filename: The filename from which to load the cell * - * Loads a unit cell from a PDB file. + * Loads a unit cell from the CRYST1 line of a PDB file. * * Returns: a newly allocated %UnitCell. * @@ -1161,7 +1164,12 @@ UnitCell *load_cell_from_pdb(const char *filename) fclose(fh); - validate_cell(cell); + if ( cell != NULL ) { + validate_cell(cell); + } else { + ERROR("Failed to load cell from %s\n", filename); + } + return cell; } @@ -1225,6 +1233,7 @@ static int get_angle_rad(char **bits, int nbits, double *pl) /** * load_cell_from_file: + * @filename: The filename from which to load the cell * * Loads a unit cell from a file of any type (PDB or CrystFEL format) * |