diff options
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/hdf5-file.c | 61 | ||||
| -rw-r--r-- | libcrystfel/src/image.h | 15 |
2 files changed, 71 insertions, 5 deletions
diff --git a/libcrystfel/src/hdf5-file.c b/libcrystfel/src/hdf5-file.c index 95ceb9c1..ad9495b5 100644 --- a/libcrystfel/src/hdf5-file.c +++ b/libcrystfel/src/hdf5-file.c @@ -295,6 +295,8 @@ int hdf5_write_image(const char *filename, struct image *image) herr_t r; hsize_t size[2]; double lambda, eV; + double *arr; + int i; fh = H5Fcreate(filename, H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT); if ( fh < 0 ) { @@ -362,11 +364,7 @@ int hdf5_write_image(const char *filename, struct image *image) eV = ph_lambda_to_eV(image->lambda); r = H5Dwrite(dh, H5T_NATIVE_DOUBLE, H5S_ALL, H5S_ALL, H5P_DEFAULT, &eV); - if ( r < 0 ) { - H5Dclose(dh); - H5Fclose(fh); - return 1; - } + H5Dclose(dh); dh = H5Dcreate2(fh, "/LCLS/photon_wavelength_A", H5T_NATIVE_DOUBLE, sh, @@ -383,6 +381,59 @@ int hdf5_write_image(const char *filename, struct image *image) H5Fclose(fh); return 1; } + + H5Dclose(dh); + + arr = malloc(image->spectrum_size*sizeof(double)); + if ( arr == NULL ) { + H5Fclose(fh); + return 1; + } + for ( i=0; i<image->spectrum_size; i++ ) { + arr[i] = 1.0e10/image->spectrum[i].k; + } + + size[0] = image->spectrum_size; + sh = H5Screate_simple(1, size, NULL); + + dh = H5Dcreate2(gh, "spectrum_wavelengths_A", H5T_NATIVE_DOUBLE, sh, + H5P_DEFAULT, H5S_ALL, H5P_DEFAULT); + if ( dh < 0 ) { + H5Fclose(fh); + return 1; + } + r = H5Dwrite(dh, H5T_NATIVE_DOUBLE, H5S_ALL, + H5S_ALL, H5P_DEFAULT, arr); + H5Dclose(dh); + + for ( i=0; i<image->spectrum_size; i++ ) { + arr[i] = image->spectrum[i].weight; + } + dh = H5Dcreate2(gh, "spectrum_weights", H5T_NATIVE_DOUBLE, sh, + H5P_DEFAULT, H5S_ALL, H5P_DEFAULT); + if ( dh < 0 ) { + H5Fclose(fh); + return 1; + } + r = H5Dwrite(dh, H5T_NATIVE_DOUBLE, H5S_ALL, + H5S_ALL, H5P_DEFAULT, arr); + + H5Dclose(dh); + free(arr); + + size[0] = 1; + sh = H5Screate_simple(1, size, NULL); + + dh = H5Dcreate2(gh, "number_of_samples", H5T_NATIVE_INT, sh, + H5P_DEFAULT, H5S_ALL, H5P_DEFAULT); + if ( dh < 0 ) { + H5Fclose(fh); + return 1; + } + + r = H5Dwrite(dh, H5T_NATIVE_INT, H5S_ALL, + H5S_ALL, H5P_DEFAULT, &image->nsamples); + H5Dclose(dh); H5Gclose(gh); diff --git a/libcrystfel/src/image.h b/libcrystfel/src/image.h index a1ac75a3..0c189cad 100644 --- a/libcrystfel/src/image.h +++ b/libcrystfel/src/image.h @@ -44,6 +44,10 @@ #include "crystal.h" #include "index.h" +typedef enum { + SPECTRUM_TOPHAT, + SPECTRUM_SASE +} SpectrumType; /* Structure describing a feature in an image */ struct imagefeature { @@ -67,6 +71,13 @@ struct imagefeature { /* An opaque type representing a list of image features */ typedef struct _imagefeaturelist ImageFeatureList; +/* Structure describing a wavelength sample from a spectrum */ +struct sample +{ + double k; + double weight; +}; + /** * image: @@ -144,6 +155,10 @@ struct image { int id; /* ID number of the thread * handling this image */ + struct sample *spectrum; + int nsamples; /* Number of wavelengths */ + int spectrum_size; /* Size of "spectrum" */ + /* Per-shot radiation values */ double lambda; /* Wavelength in m */ double div; /* Divergence in radians */ |