diff options
author | Thomas White <taw@physics.org> | 2019-05-10 17:26:46 +0200 |
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committer | Thomas White <taw@physics.org> | 2020-07-29 18:39:50 +0200 |
commit | 9a0a25a4c88ad7d5b62bf6b8c285ba957f98b28f (patch) | |
tree | 1d9b407f233d7bdba045661de4719a6d68688418 /libcrystfel | |
parent | 0e48c77bb04daf4c5dc5d71a74262404edfc049e (diff) |
Sketch out DataTemplate API
Diffstat (limited to 'libcrystfel')
-rw-r--r-- | libcrystfel/CMakeLists.txt | 2 | ||||
-rw-r--r-- | libcrystfel/doc/index.md | 1 | ||||
-rw-r--r-- | libcrystfel/src/datatemplate.c | 163 | ||||
-rw-r--r-- | libcrystfel/src/datatemplate.h | 60 | ||||
-rw-r--r-- | libcrystfel/src/detgeom.h | 275 |
5 files changed, 501 insertions, 0 deletions
diff --git a/libcrystfel/CMakeLists.txt b/libcrystfel/CMakeLists.txt index 9f79b0c4..15d4ba19 100644 --- a/libcrystfel/CMakeLists.txt +++ b/libcrystfel/CMakeLists.txt @@ -75,6 +75,7 @@ set(LIBCRYSTFEL_SOURCES src/pinkindexer.c src/rational.c src/spectrum.c + src/datatemplate.c ${BISON_symopp_OUTPUTS} ${FLEX_symopl_OUTPUTS} ) @@ -117,6 +118,7 @@ set(LIBCRYSTFEL_HEADERS src/pinkindexer.h src/rational.h src/spectrum.h + src/datatemplate.h ) if (DOXYGEN_FOUND) diff --git a/libcrystfel/doc/index.md b/libcrystfel/doc/index.md index a14e62db..f1c72ed4 100644 --- a/libcrystfel/doc/index.md +++ b/libcrystfel/doc/index.md @@ -49,6 +49,7 @@ API documentation * \ref felix.h "Felix indexer interface" * \ref predict-refine.h "Prediction refinement" * \ref integration.h "Integration of reflections" +* \ref datatemplate.h "Contents of geometry files" * \ref detector.h "Detector geometry descriptions" * \ref spectrum.h "Radiation spectrum object" * \ref hdf5-file.h "HDF5 file interface" diff --git a/libcrystfel/src/datatemplate.c b/libcrystfel/src/datatemplate.c new file mode 100644 index 00000000..22bad02c --- /dev/null +++ b/libcrystfel/src/datatemplate.c @@ -0,0 +1,163 @@ +/* + * datatemplate.c + * + * Data template structure + * + * Copyright © 2019 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. + * + * Authors: + * 2019 Thomas White <taw@physics.org> + * + * This file is part of CrystFEL. + * + * CrystFEL is free software: you can redistribute it and/or modify + * it under the terms of the GNU General Public License as published by + * the Free Software Foundation, either version 3 of the License, or + * (at your option) any later version. + * + * CrystFEL is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + * GNU General Public License for more details. + * + * You should have received a copy of the GNU General Public License + * along with CrystFEL. If not, see <http://www.gnu.org/licenses/>. + * + */ + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + +#include <stdlib.h> + +#include "datatemplate.h" + + +/** + * \file datatemplate.h + */ + +enum adu_per_unit +{ + ADU_PER_PHOTON, + ADU_PER_EV +}; + + +/** + * Represents one panel of a detector + */ +struct panel_template +{ + /** Text name for panel (fixed length array) */ + char name[1024]; + + /** \name Location of corner in units of the pixel size of this panel */ + /**@{*/ + double cnx; + double cny; + /**@}*/ + + /** Location to get \ref cnz from, e.g. from HDF5 file */ + char *cnz_from; + + /** The offset to be applied from \ref clen */ + double coffset; + + /** Location of mask data */ + char *mask; + + /** Filename for mask data */ + char *mask_file; + + /** Location of per-pixel saturation map */ + char *satmap; + + /** Filename for saturation map */ + char *satmap_file; + + /** Resolution in pixels per metre */ + double pixel_pitch; + + /** Readout direction (for filtering out clusters of peaks) + * ('x' or 'y') */ + char badrow; + + /** Number of detector intensity units per photon, or eV */ + double adu_scale; + enum adu_per_unit adu_scale_unit; + + /** Treat pixel as unreliable if higher than this */ + double max_adu; + + /** Location of data in file */ + char *data; + + /** Dimension structure */ + struct dim_structure *dim_structure; + + /** \name Transformation matrix from pixel coordinates to lab frame */ + /*@{*/ + double fsx; + double fsy; + double fsz; + double ssx; + double ssy; + double ssz; + /*@}*/ + + /** \name Rail direction */ + /*@{*/ + double rail_x; + double rail_y; + double rail_z; + /*@}*/ + + /* Value of clen (without coffset) at which beam is centered */ + double clen_for_centering; + + /** \name Position of the panel in the data block in the file. */ + /*@{*/ + int orig_min_fs; + int orig_max_fs; + int orig_min_ss; + int orig_max_ss; + /*@}*/ +}; + + +struct _datatemplate +{ + struct panel_template *panels; + int n_panels; + + struct badregion *bad; + int n_bad; + + unsigned int mask_bad; + unsigned int mask_good; + + struct rigid_group **rigid_groups; + int n_rigid_groups; + + struct rg_collection **rigid_group_collections; + int n_rg_collections; + + int path_dim; + int dim_dim; + + struct panel_template defaults; +}; + + +DataTemplate *data_template_new_from_file(const char *filename) +{ + return NULL; +} + + +void data_template_free(DataTemplate *dt) +{ +} diff --git a/libcrystfel/src/datatemplate.h b/libcrystfel/src/datatemplate.h new file mode 100644 index 00000000..01292836 --- /dev/null +++ b/libcrystfel/src/datatemplate.h @@ -0,0 +1,60 @@ +/* + * datatemplate.h + * + * Template for loading data + * + * Copyright © 2019 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. + * + * Authors: + * 2019 Thomas White <taw@physics.org> + * + * This file is part of CrystFEL. + * + * CrystFEL is free software: you can redistribute it and/or modify + * it under the terms of the GNU General Public License as published by + * the Free Software Foundation, either version 3 of the License, or + * (at your option) any later version. + * + * CrystFEL is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + * GNU General Public License for more details. + * + * You should have received a copy of the GNU General Public License + * along with CrystFEL. If not, see <http://www.gnu.org/licenses/>. + * + */ + +#ifndef DATATEMPLATE_H +#define DATATEMPLATE_H + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + + +/** + * \file datatemplate.h + * Template for loading data. + */ + +/** + * This data structure is opaque. You must use the available accessor functions + * to read and write its contents. + **/ +typedef struct _datatemplate DataTemplate; + + +#ifdef __cplusplus +extern "C" { +#endif + +extern DataTemplate *data_template_new_from_file(const char *filename); +extern void data_template_free(DataTemplate *dt); + +#ifdef __cplusplus +} +#endif + +#endif /* DATATEMPLATE_H */ diff --git a/libcrystfel/src/detgeom.h b/libcrystfel/src/detgeom.h new file mode 100644 index 00000000..6b487c43 --- /dev/null +++ b/libcrystfel/src/detgeom.h @@ -0,0 +1,275 @@ +/* + * detector.h + * + * Detector properties + * + * Copyright © 2012-2020 Deutsches Elektronen-Synchrotron DESY, + * a research centre of the Helmholtz Association. + * Copyright © 2012 Richard Kirian + * + * Authors: + * 2009-2019 Thomas White <taw@physics.org> + * 2011-2012 Richard Kirian <rkirian@asu.edu> + * 2014 Valerio Mariani + * 2011 Andrew Aquila + * + * This file is part of CrystFEL. + * + * CrystFEL is free software: you can redistribute it and/or modify + * it under the terms of the GNU General Public License as published by + * the Free Software Foundation, either version 3 of the License, or + * (at your option) any later version. + * + * CrystFEL is distributed in the hope that it will be useful, + * but WITHOUT ANY WARRANTY; without even the implied warranty of + * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + * GNU General Public License for more details. + * + * You should have received a copy of the GNU General Public License + * along with CrystFEL. If not, see <http://www.gnu.org/licenses/>. + * + */ + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + +#ifndef DETECTOR_H +#define DETECTOR_H + +struct rigid_group; +struct rg_collection; +struct detector; +struct panel; +struct badregion; +struct beam_params; +struct hdfile; +struct event; + +#include "hdf5-file.h" +#include "image.h" + +#ifdef __cplusplus +extern "C" { +#endif + +/** + * \file detector.h + * Detector geometry structure and related functions. + */ + + +struct rigid_group +{ + char *name; + struct panel **panels; + int n_panels; +}; + + +struct rg_collection +{ + char *name; + struct rigid_group **rigid_groups; + int n_rigid_groups; +}; + + +/** + * Represents one panel of a detector + */ +struct panel +{ + /** Text name for panel */ + const char *name; + + /** \name Location of corner in units of the pixel size of this panel, \ + * measured from the interaction point. */ + /**@{*/ + double cnx; + double cny; + double cnz; + /**@}*/ + + /** Pixel size in metres */ + double pixel_pitch; + + /** Readout direction (for filtering out clusters of peaks) + * ('x' or 'y') */ + char badrow; + + /** Number of detector intensity units per photon (or electron, etc) */ + double adu_per_photon; + + /** Treat pixel as unreliable if higher than this */ + double max_adu; + + /** \name Transformation matrix from pixel coordinates to lab frame */ + /*@{*/ + double fsx; + double fsy; + double fsz; + double ssx; + double ssy; + double ssz; + /*@}*/ + + /** \name Inverse of 2D part of transformation matrix */ + /*@{*/ + double xfs; + double yfs; + double xss; + double yss; + /*@}*/ + + /** \name Width and height of panel */ + /*@{*/ + int w; + int h; + /*@}*/ +}; + + +struct badregion +{ + char name[1024]; + int is_fsss; + char *panel; + + double min_x; + double max_x; + double min_y; + double max_y; + + /* Specified INCLUSIVELY */ + int min_fs; + int max_fs; + int min_ss; + int max_ss; + +}; + + +struct detector +{ + struct panel *panels; + int n_panels; + + struct badregion *bad; + int n_bad; + + unsigned int mask_bad; + unsigned int mask_good; + + struct rigid_group **rigid_groups; + int n_rigid_groups; + + struct rg_collection **rigid_group_collections; + int n_rg_collections; + + /* Location of the pixel furthest away from the beam position, which + * will have the largest value of 2theta regardless of camera length + * and wavelength */ + struct panel *furthest_out_panel; + double furthest_out_fs; + double furthest_out_ss; + + /* As above, but for the smallest 2theta */ + struct panel *furthest_in_panel; + double furthest_in_fs; + double furthest_in_ss; +}; + + +extern struct rvec get_q_for_panel(struct panel *p, double fs, double ss, + double *ttp, double k); + +extern double get_tt(struct image *image, double xs, double ys, int *err); + +extern int in_bad_region(struct detector *det, struct panel *p, + double fs, double ss); + +extern void record_image(struct image *image, int do_poisson, double background, + gsl_rng *rng, double beam_radius, double nphotons); + +extern struct panel *find_orig_panel(struct detector *det, + double fs, double ss); + +extern signed int find_orig_panel_number(struct detector *det, + double fs, double ss); + +extern int panel_number(const struct detector *det, const struct panel *p); + +extern struct detector *get_detector_geometry(const char *filename, + struct beam_params *beam); + +extern struct detector *get_detector_geometry_2(const char *filename, + struct beam_params *beam, + char **hdf5_peak_path); + +extern struct detector *get_detector_geometry_from_string(const char *string, + struct beam_params *beam, + char **hdf5_peak_path); + +extern void free_detector_geometry(struct detector *det); + +extern struct detector *simple_geometry(const struct image *image, int w, int h); + +extern void get_pixel_extents(struct detector *det, + double *min_x, double *min_y, + double *max_x, double *max_y); + +extern void fill_in_adu(struct image *image); +extern void adjust_centering_for_rail(struct panel *p); + +extern int panel_is_in_rigid_group(const struct rigid_group *rg, + struct panel *p); + +extern int rigid_group_is_in_collection(struct rg_collection *c, + struct rigid_group *rg); + +extern struct detector *copy_geom(const struct detector *in); + +extern int reverse_2d_mapping(double x, double y, struct detector *det, + struct panel **pp, double *pfs, double *pss); + +extern double largest_q(struct image *image); + +extern double smallest_q(struct image *image); + +extern struct panel *find_panel_by_name(struct detector *det, const char *name); + +extern int write_detector_geometry_2(const char *geometry_filename, + const char *output_filename, + struct detector *det, + const char *additional_comment, + int write_panel_coffset); + +extern int write_detector_geometry_3(const char *geometry_data, + const char *output_filename, + struct detector *det, + const char *additional_comment, + int write_panel_coffset); + +extern int write_detector_geometry(const char *geometry_filename, + const char *output_filename, + struct detector *det); + +extern void mark_resolution_range_as_bad(struct image *image, + double min, double max); + + +extern int single_panel_data_source(struct detector *det, const char *element); + +struct rg_collection *find_rigid_group_collection_by_name(struct detector *det, + const char *name); + +extern int detector_has_clen_references(struct detector *det); + +extern int multi_event_geometry(struct detector *det); + +#ifdef __cplusplus +} +#endif + +#endif /* DETECTOR_H */ |