1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
|
/*
* gui_project.h
*
* GUI project persistence
*
* Copyright © 2020-2021 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
*
* Authors:
* 2020-2021 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 GUI_PROJECT_H
#define GUI_PROJECT_H
#include <gtk/gtk.h>
#include <peaks.h>
#include <stream.h>
#define MAX_RUNNING_TASKS (16)
enum match_type_id
{
MATCH_EVERYTHING,
MATCH_H5,
MATCH_CHEETAH_LCLS_H5,
MATCH_CHEETAH_CXI,
MATCH_CBF,
MATCH_CBFGZ,
};
struct peak_params {
enum peak_search_method method;
float threshold; /* zaef, pf8 */
float min_sq_gradient; /* zaef */
float min_snr; /* zaef, pf8 */
int min_pix_count; /* pf8 */
int max_pix_count; /* pf8 */
int local_bg_radius; /* pf8 */
int min_res; /* pf8 */
int max_res; /* pf8 */
float min_snr_biggest_pix; /* pf9 */
float min_snr_peak_pix; /* pf9 */
float min_sig; /* pf9 */
float min_peak_over_neighbour; /* pf9 */
float pk_inn;
float pk_mid;
float pk_out;
int half_pixel_shift; /* cxi, hdf5 */
int revalidate;
};
struct index_params {
/* Indexing */
char *cell_file;
char *indexing_methods;
int multi;
int no_refine;
int no_retry;
int no_peak_check;
int no_cell_check;
float tols[6];
int min_peaks;
/* PinkIndexer-specific */
int pinkindexer_cpeaks;
int pinkindexer_use_max_res;
double pinkindexer_max_res;
int pinkindexer_angle_density;
int pinkindexer_refinement_type;
double pinkindexer_tolerance;
int pinkindexer_use_refl_radius;
double pinkindexer_refl_radius;
double pinkindexer_max_imbalance;
/* Integration */
char *integration_method;
int overpredict;
float push_res;
float ir_inn;
float ir_mid;
float ir_out;
float fix_profile_radius;
int use_fix_profile_radius;
float fix_divergence;
/* Stream output */
int exclude_nonhits;
int exclude_peaks;
int exclude_refls;
char **metadata_to_copy;
int n_metadata;
};
struct merging_params {
char *model; /* "process_hkl" in addition to xsphere/unity etc */
char *symmetry;
int scale;
int bscale;
int postref;
int niter;
char *polarisation;
int deltacchalf;
int min_measurements;
float max_adu;
char *custom_split;
int pr_logs;
char *twin_sym;
float min_res;
float push_res;
};
struct ambi_params {
int use_res;
double res_min; /* Angstroms */
double res_max; /* Angstroms */
int niter;
int use_ncorr;
int ncorr;
char *sym;
char *source_sym;
int use_operator;
char *operator;
};
struct gui_indexing_result
{
char *name;
int n_streams;
char **streams;
StreamIndex **indices;
int need_rescan;
};
struct gui_merge_result
{
char *name;
char *indexing_result_name; /* Indexing result this was derived from */
char *hkl; /* Complete merged data */
char *hkl1; /* First half-split */
char *hkl2; /* Second half-split */
};
struct crystfelproject;
struct crystfel_backend {
const char *name;
const char *friendly_name;
/* Called to ask the backend to cancel the job */
void (*cancel_task)(void *job_priv);
/* Called to ask the backend to free any resources in the job record */
void (*free_task)(void *job_priv);
/* Called to get the status of a task */
int (*task_status)(void *job_priv,
int *running,
float *fraction_complete);
/* ....................... Indexing ........................ */
/* Backend should provide a GTK widget to set options */
GtkWidget *(*make_indexing_parameters_widget)(void *opts_priv);
/* Called to ask the backend to start indexing frames.
* It should return a void pointer representing this job */
void *(*run_indexing)(const char *job_title,
const char *job_notes,
struct crystfelproject *proj,
void *opts_priv,
double wavelength_estimate,
double clen_estimate);
/* Called to ask the backend to write its indexing options */
void (*write_indexing_opts)(void *opts_priv, FILE *fh);
/* Called when reading a project from file */
void (*read_indexing_opt)(void *opts_priv,
const char *key,
const char *val);
/* Backend should store options for indexing here */
void *indexing_opts_priv;
/* ....................... Merging ........................ */
/* Backend should provide a GTK widget to set options */
GtkWidget *(*make_merging_parameters_widget)(void *opts_priv);
/* Called to ask the backend to start merging data.
* It should return a void pointer representing this job */
void *(*run_merging)(const char *job_title,
const char *job_notes,
struct crystfelproject *proj,
struct gui_indexing_result *input,
void *opts_priv);
/* Called to ask the backend to write its merging options */
void (*write_merging_opts)(void *opts_priv, FILE *fh);
/* Called when reading a project from file */
void (*read_merging_opt)(void *opts_priv,
const char *key,
const char *val);
/* Backend should store options for merging here */
void *merging_opts_priv;
/* .................. Indexing ambiguity .................. */
/* Backend should provide a GTK widget to set options */
GtkWidget *(*make_ambi_parameters_widget)(void *opts_priv);
/* Called to ask the backend to start resolving indexing ambiguity.
* It should return a void pointer representing this job */
void *(*run_ambi)(const char *job_title,
const char *job_notes,
struct crystfelproject *proj,
struct gui_indexing_result *input,
void *opts_priv);
/* Called to ask the backend to write its ambigator options */
void (*write_ambi_opts)(void *opts_priv, FILE *fh);
/* Called when reading a project from file */
void (*read_ambi_opt)(void *opts_priv,
const char *key,
const char *val);
/* Backend should store options for ambigator here */
void *ambi_opts_priv;
};
struct gui_task
{
GtkWidget *info_bar;
GtkWidget *cancel_button;
GtkWidget *progress_bar;
int running;
struct crystfel_backend *backend;
struct crystfelproject *proj;
void *job_priv;
};
#define N_RANDOM_HISTORY (16)
struct crystfelproject {
GtkWidget *window;
GtkUIManager *ui;
GtkActionGroup *action_group;
GtkWidget *imageview;
GtkWidget *colscale;
GtkWidget *icons; /* Drawing area for task icons */
GtkWidget *report; /* Text view at the bottom for messages */
GtkWidget *main_vbox;
GtkWidget *image_info;
GtkWidget *results_combo;
GtkWidget *next_button;
GtkWidget *prev_button;
GtkWidget *first_button;
GtkWidget *last_button;
int range_set;
int unsaved;
int cur_frame;
struct image *cur_image;
int random_history[N_RANDOM_HISTORY];
int n_random_history;
char *geom_filename;
char *data_top_folder; /* For convenience only. Filenames in
* 'filenames' list should be complete */
enum match_type_id data_search_pattern;
DataTemplate *dtempl;
int n_frames;
int max_frames;
char **filenames;
char **events;
int show_centre;
int resolution_rings;
int rescan_on_change;
int show_peaks;
struct peak_params peak_search_params;
int show_refls;
int label_refls;
struct index_params indexing_params;
int indexing_backend_selected;
GtkWidget *indexing_opts;
char *indexing_new_job_title;
struct merging_params merging_params;
int merging_backend_selected;
GtkWidget *merging_opts;
char *merging_new_job_title;
GtkWidget *type_combo;
GtkWidget *peak_vbox; /* Box for peak search parameter widgets */
GtkWidget *peak_params; /* Peak search parameter widgets */
struct peak_params original_params;
/* All the backends available in this project */
struct crystfel_backend *backends;
int n_backends;
GSList *tasks;
struct gui_indexing_result *results;
int n_results;
struct gui_merge_result *merge_results;
int n_merge_results;
double fom_res_min; /* Angstroms */
double fom_res_max; /* Angstroms */
int fom_nbins;
double fom_min_snr;
int fom_min_meas;
char *fom_cell_filename;
double export_res_min; /* Angstroms */
double export_res_max; /* Angstroms */
char *ambi_new_job_title;
int ambi_backend_selected;
GtkWidget *ambi_opts;
struct ambi_params ambi_params;
};
extern enum match_type_id decode_matchtype(const char *type_id);
extern int match_filename(const char *fn, enum match_type_id mt);
extern int load_project(struct crystfelproject *proj);
extern int default_project(struct crystfelproject *proj);
extern int save_project(struct crystfelproject *proj);
extern void add_file_to_project(struct crystfelproject *proj,
const char *filename,
const char *event);
extern void clear_project_files(struct crystfelproject *proj);
extern void clear_indexing_results(struct crystfelproject *proj);
extern int add_indexing_result(struct crystfelproject *proj,
const char *name,
char **streams,
int n_streams);
extern struct image *find_indexed_image(struct crystfelproject *proj,
const char *result_name,
const char *filename,
const char *event,
int permit_rescan);
extern void update_result_index(struct gui_indexing_result *result);
extern struct gui_indexing_result *find_indexing_result_by_name(struct crystfelproject *proj,
const char *name);
extern int add_merge_result(struct crystfelproject *proj, const char *name,
const char *indexing_result_name,
const char *hkl, const char *hkl1, const char *hkl2);
extern struct gui_merge_result *find_merge_result_by_name(struct crystfelproject *proj,
const char *name);
extern const char *selected_result(struct crystfelproject *proj);
#endif
|