diff options
| -rw-r--r-- | src/powder_plot.c | 107 |
1 files changed, 60 insertions, 47 deletions
diff --git a/src/powder_plot.c b/src/powder_plot.c index e9aaa49d..1769c949 100644 --- a/src/powder_plot.c +++ b/src/powder_plot.c @@ -887,41 +887,11 @@ int main(int argc, char *argv[]) if ( is_stream(filename) == 1 ) { file_type = FILE_STREAM; - fh = fopen(filename, "r"); - if ( fh == NULL ) { - ERROR("Failed to open input file\n"); - return 1; - } - /* Use wavelength from first chunk */ - rval = read_chunk(fh, &image); - rewind(fh); } else if ( H5Fis_hdf5(filename) > 0 ) { file_type = FILE_H5; need_geometry = 1; - hdfile = hdfile_open(filename); - if ( element != NULL ) { - int r; - r = hdfile_set_image(hdfile, element); - if ( r ) { - ERROR("Couldn't select path '%s'\n", - element); - hdfile_close(hdfile); - return 0; - } - } else { - int r; - r = hdfile_set_first_image(hdfile, "/"); - if ( r ) { - ERROR("Couldn't select first path\n"); - hdfile_close(hdfile); - return 0; - } - - } - hdf5_read(hdfile, &image, config_satcorr); - hdfile_close(hdfile); } else { @@ -940,7 +910,6 @@ int main(int argc, char *argv[]) } } - free(filename); if ( datatype == NULL ) { data_type = PLOT_D; @@ -955,9 +924,6 @@ int main(int argc, char *argv[]) } else if ( strcmp(datatype, "hkl") == 0 ) { data_type = PLOT_HKL; need_pdb = 1; - if ((hist_info.q_min < 0.0) || (hist_info.q_max < 0.0)) { - need_geometry = 1; - } } else if ( strcmp(datatype, "d") == 0 ) { data_type = PLOT_D; @@ -979,16 +945,7 @@ int main(int argc, char *argv[]) return 1; } - /* Logic checks */ - if ( need_geometry && (image.lambda < 0.0) ) { - need_beam = 1; - } - if ( hist_info.histsize <= 0 ) { - ERROR("You need to specify a histogram with more then 0 " - "bins\n"); - return 1; - } - + /* doubt this is needed, but double check just in case */ if ( file_type == FILE_HKL ) { need_geometry = 0; need_beam = 0; @@ -1013,6 +970,53 @@ int main(int argc, char *argv[]) } free(geometry); + /* Open files to get wavelength if it exists & camera length + if they are not found in the geometry file */ + if (file_type == FILE_STREAM) { + fh = fopen(filename, "r"); + if ( fh == NULL ) { + ERROR("Failed to open input file\n"); + return 1; + } + /* Use wavelength from first chunk */ + rval = read_chunk(fh, &image); + rewind(fh); + } else if (file_type == FILE_H5) { + hdfile = hdfile_open(filename); + if ( element != NULL ) { + int r; + r = hdfile_set_image(hdfile, element); + if ( r ) { + ERROR("Couldn't select path '%s'\n", + element); + hdfile_close(hdfile); + return 0; + } + } else { + int r; + r = hdfile_set_first_image(hdfile, "/"); + if ( r ) { + ERROR("Couldn't select first path\n"); + hdfile_close(hdfile); + return 0; + } + + } + hdf5_read(hdfile, &image, config_satcorr); + hdfile_close(hdfile); + } + free(filename); + + /* Logic checks */ + if ( need_geometry && (image.lambda < 0.0) ) { + need_beam = 1; + } + if ( hist_info.histsize <= 0 ) { + ERROR("You need to specify a histogram with more then 0 " + "bins\n"); + return 1; + } + if ( need_beam ) { if ( beamf == NULL ) { @@ -1046,7 +1050,6 @@ int main(int argc, char *argv[]) return 1; } } - } free(pdb); @@ -1057,11 +1060,21 @@ int main(int argc, char *argv[]) free(sym_str); /* Set up histogram info*/ - if ( file_type == FILE_HKL ) { + if ( file_type == FILE_HKL || data_type == PLOT_HKL) { /* get q range from Miller indices in hkl file. */ - resolution_limits(image.reflections, cell, + if ((hist_info.q_min < 0.0) && (hist_info.q_max < 0.0)) { + resolution_limits(image.reflections, cell, &hist_info.q_min, &hist_info.q_max); + } else if (hist_info.q_min < 0.0) { + double dummy; + resolution_limits(image.reflections, cell, + &hist_info.q_min, &dummy); + } else if (hist_info.q_max < 0.0) { + double dummy; + resolution_limits(image.reflections, cell, + &dummy, &hist_info.q_max); + } } else { if ( hist_info.q_min < 0.0 ) { hist_info.q_min = smallest_q(&image); |