diff options
Diffstat (limited to 'libcrystfel/src/hdf5-file.c')
-rw-r--r-- | libcrystfel/src/hdf5-file.c | 44 |
1 files changed, 23 insertions, 21 deletions
diff --git a/libcrystfel/src/hdf5-file.c b/libcrystfel/src/hdf5-file.c index 95db89f4..6115b815 100644 --- a/libcrystfel/src/hdf5-file.c +++ b/libcrystfel/src/hdf5-file.c @@ -633,23 +633,20 @@ static void write_location(hid_t fh, struct image *image, } -static void write_photon_energy(hid_t fh, double eV) +static void write_photon_energy(hid_t fh, double eV, const char *ph_en_loc) { - hid_t gh, sh, dh; + hid_t ph, sh, dh; hsize_t size1d[1]; int r; - gh = H5Gcreate2(fh, "LCLS", H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT); - if ( gh < 0 ) { - ERROR("Couldn't create group for photon energy.\n"); - return; - } + ph = H5Pcreate(H5P_LINK_CREATE); + H5Pset_create_intermediate_group(ph, 1); size1d[0] = 1; sh = H5Screate_simple(1, size1d, NULL); - dh = H5Dcreate2(gh, "photon_energy_eV", H5T_NATIVE_DOUBLE, sh, - H5P_DEFAULT, H5S_ALL, H5P_DEFAULT); + dh = H5Dcreate2(fh, ph_en_loc, H5T_NATIVE_DOUBLE, sh, + ph, H5S_ALL, H5P_DEFAULT); if ( dh < 0 ) { ERROR("Couldn't create dataset for photon energy.\n"); return; @@ -660,6 +657,7 @@ static void write_photon_energy(hid_t fh, double eV) /* carry on */ } + H5Pclose(ph); H5Dclose(dh); } @@ -671,13 +669,10 @@ static void write_spectrum(hid_t fh, struct sample *spectrum, int spectrum_size, double *arr; int i; hsize_t size1d[1]; - hid_t sh, dh, gh; + hid_t sh, dh, ph; - gh = H5Gopen(fh, "LCLS", H5P_DEFAULT); - if ( gh < 0 ) { - ERROR("Couldn't open group for photon energy.\n"); - return; - } + ph = H5Pcreate(H5P_LINK_CREATE); + H5Pset_create_intermediate_group(ph, 1); arr = malloc(spectrum_size*sizeof(double)); if ( arr == NULL ) { @@ -691,8 +686,8 @@ static void write_spectrum(hid_t fh, struct sample *spectrum, int spectrum_size, size1d[0] = spectrum_size; sh = H5Screate_simple(1, size1d, NULL); - dh = H5Dcreate2(gh, "spectrum_wavelengths_A", H5T_NATIVE_DOUBLE, - sh, H5P_DEFAULT, H5S_ALL, H5P_DEFAULT); + dh = H5Dcreate2(fh, "/spectrum/wavelengths_A", H5T_NATIVE_DOUBLE, + sh, ph, H5S_ALL, H5P_DEFAULT); if ( dh < 0 ) { ERROR("Failed to create dataset for spectrum wavelengths.\n"); return; @@ -709,7 +704,7 @@ static void write_spectrum(hid_t fh, struct sample *spectrum, int spectrum_size, arr[i] = spectrum[i].weight; } - dh = H5Dcreate2(gh, "spectrum_weights", H5T_NATIVE_DOUBLE, sh, + dh = H5Dcreate2(fh, "/spectrum/weights", H5T_NATIVE_DOUBLE, sh, H5P_DEFAULT, H5S_ALL, H5P_DEFAULT); if ( dh < 0 ) { ERROR("Failed to create dataset for spectrum weights.\n"); @@ -728,8 +723,8 @@ static void write_spectrum(hid_t fh, struct sample *spectrum, int spectrum_size, size1d[0] = 1; sh = H5Screate_simple(1, size1d, NULL); - dh = H5Dcreate2(gh, "number_of_samples", H5T_NATIVE_INT, sh, - H5P_DEFAULT, H5S_ALL, H5P_DEFAULT); + dh = H5Dcreate2(fh, "/spectrum/number_of_samples", H5T_NATIVE_INT, sh, + ph, H5S_ALL, H5P_DEFAULT); if ( dh < 0 ) { ERROR("Failed to create dataset for number of spectrum " "samples.\n"); @@ -744,6 +739,7 @@ static void write_spectrum(hid_t fh, struct sample *spectrum, int spectrum_size, } H5Dclose(dh); + H5Pclose(ph); } @@ -754,6 +750,7 @@ int hdf5_write_image(const char *filename, struct image *image, char *element) char *default_location; struct hdf5_write_location *locations; int num_locations; + const char *ph_en_loc; if ( image->det == NULL ) { ERROR("Geometry not available\n"); @@ -779,7 +776,12 @@ int hdf5_write_image(const char *filename, struct image *image, char *element) write_location(fh, image, &locations[li]); } - write_photon_energy(fh, ph_lambda_to_eV(image->lambda)); + if ( image->beam->photon_energy_from == NULL ) { + ph_en_loc = "photon_energy_eV"; + } else { + ph_en_loc = image->beam->photon_energy_from; + } + write_photon_energy(fh, ph_lambda_to_eV(image->lambda), ph_en_loc); if ( image->spectrum_size > 0 ) { write_spectrum(fh, image->spectrum, image->spectrum_size, image->nsamples); |