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-rw-r--r--libcrystfel/src/index.c314
1 files changed, 3 insertions, 311 deletions
diff --git a/libcrystfel/src/index.c b/libcrystfel/src/index.c
index 0150787a..c8e34b23 100644
--- a/libcrystfel/src/index.c
+++ b/libcrystfel/src/index.c
@@ -60,34 +60,13 @@
#include "taketwo.h"
#include "xgandalf.h"
#include "pinkindexer.h"
+#include "fromfile.h"
#include "uthash.h"
/** \file index.h */
-#define NPARAMS_PER_LINE 13 // There are 9 vector components, 2 detector shifts, 1 profile radius, 1 resolution limit
-#define NKEYS_PER_LINE 4 // The keys are the filename, event path, event dim and crystal number
-
-struct skip_private
-{
- UnitCell *cellTemplate;
- struct record_t *sol_hash;
-};
-
-struct record_key_t{ //Hash table keys
- char filename[100];
- char event_path[100];
- int event_dim;
- int crystal_number;
-};
-
-struct record_t{ //Hash table
- struct record_key_t key;
- float solution[NPARAMS_PER_LINE];
- UT_hash_handle hh;
-};
-
struct _indexingprivate
{
IndexingFlags flags;
@@ -99,27 +78,6 @@ struct _indexingprivate
void **engine_private;
};
-void print_struct(struct record_t *sol_hash) {
- struct record_t *s;
- s = (struct record_t *)malloc(sizeof *s);
- memset(s, 0, sizeof *s);
-
- for(s=sol_hash; s != NULL; s=(struct record_t*)(s->hh.next)) {
- printf("This entry corresponds to event %s//%d and crystal_number %d in file %s \n", s->key.event_path, s->key.event_dim, s->key.crystal_number, s->key.filename);
- }
-}
-
-void full_print_struct(struct record_t *sol_hash) {
- struct record_t *s;
- s = (struct record_t *)malloc(sizeof *s);
- memset(s, 0, sizeof *s);
-
- for(s=sol_hash; s != NULL; s=(struct record_t*)(s->hh.next)) {
- printf("This entry corresponds to event %s//%d and crystal_number %d in file %s \n", s->key.event_path, s->key.event_dim, s->key.crystal_number, s->key.filename);
- printf("The solution parameters are %e %e %e %e %e %e %e %e %e %e %e %e %e \n", s->solution[0], s->solution[1], s->solution[2], s->solution[3], s->solution[4], s->solution[5], s->solution[6], s->solution[7], s->solution[8], s->solution[9], s->solution[10], s->solution[11], s->solution[12]);
- }
-}
-
static const char *onoff(int a)
{
if ( a ) return "on";
@@ -155,272 +113,6 @@ static void show_indexing_flags(IndexingFlags flags)
onoff(flags & INDEXING_RETRY));
}
-int ncrystals_in_sol(char *path)
-{
- FILE *fh;
- int count = 0; // Line counter (result)
- char c; // To store a character read from file
-
- fh = fopen(path, "r");
-
- if ( fh == NULL ) {
- ERROR("%s not found by ncrystals_in_sol\n",path);
- return 0;
- }
-
- for (c = getc(fh); c != EOF; c = getc(fh))
- if (c == '\n') // Increment count if this character is newline
- count = count + 1;
-
- //For the last line, which has no \n at the end
- count = count + 1;
-
- // Close the file
- fclose(fh);
-
- // STATUS("Found indexing file %s containing %d lines. \n", path, count);
-
- return count;
-
-}
-
-
-void *skip_prepare(char *solution_filename, UnitCell *cell)
-{
- FILE *fh;
- int nlines;
- int nparams_in_solution;
- int nentries;
- char filename[100];
- char event_path[100];
- int event_dim;
- int crystal_number;
- int current_line;
- int position_in_current_line;
- struct record_t *sol_hash = NULL;
- struct record_t *item = NULL;
- float params[NPARAMS_PER_LINE];
- char path_to_sol[50],extension[10];
- char cwd[PATH_MAX];
-
- //Assembling solution file name from input file name to crystfel
- strcpy(path_to_sol,"../");
- strcpy(extension,".sol");
- strcat(path_to_sol, strtok(solution_filename, ".") ); //Add .sol at the previously splitted name
- strcat(path_to_sol, extension );
-
- if (getcwd(cwd, sizeof(cwd)) != NULL) {
- //printf("Path where skip_prepare is ran: %s\n", cwd);
- }
-
- fh = fopen(path_to_sol, "r");
-
- if ( fh == NULL ) {
- ERROR("%s not found by skip_prepare in %s\n", path_to_sol, cwd);
- return 0;
- }
- else {
- STATUS("Found solution file %s at %s\n", path_to_sol, cwd);
- }
-
- nlines = ncrystals_in_sol(path_to_sol);
- nparams_in_solution = nlines*NPARAMS_PER_LINE; /* total crystal parameters in solution file */
- nentries = nlines*(NPARAMS_PER_LINE+NKEYS_PER_LINE); /* total entries in solution file */
-
- STATUS("Parsing solution file containing %d lines...\n", nlines);
-
- //Reads indexing solutions
- int j = 0; //index that follows the solution parameter [0,NPARAMS_PER_LINE]
- for(int i = 0; i < nentries; i++)
- {
-
- current_line = i/(NPARAMS_PER_LINE+NKEYS_PER_LINE);
-
- position_in_current_line = (i)%(NPARAMS_PER_LINE+NKEYS_PER_LINE);
-
- if (position_in_current_line == 0){
-
- if ( fscanf(fh, "%s", filename) != 1 ) {
- if (current_line == (nlines-1)){
- break;
- }
- else{
- printf("Failed to read a filename from indexing.sol with skip_prepare\n");
- return 0;
- }
- }
- }
-
- if (position_in_current_line == 1){
-
- if ( fscanf(fh, "%s", event_path) != 1 ) {
- printf("Failed to read an event path from indexing.sol with skip_prepare\n");
- return 0;
- }
- }
-
- if (position_in_current_line == 2){
-
- if ( fscanf(fh, "%d", &event_dim) != 1 ) {
- printf("Failed to read an event dim from indexing.sol with skip_prepare\n");
- return 0;
- }
- }
-
- if (position_in_current_line == 3){
- if ( fscanf(fh, "%d", &crystal_number) != 1 ) {
- printf("Failed to read a crystal number from indexing.sol with skip_prepare\n");
- return 0;
- }
- }
-
- if (position_in_current_line > 3){
- if ( fscanf(fh, "%e", &params[j]) != 1 ) {
- printf("Failed to read a parameter from indexing.sol with skip_prepare\n");
- return 0;
- }
- j+=1;
-
-
- }
-
- if (j == (NPARAMS_PER_LINE) ){
-
- //Prepare to add to the hash table
- item = (struct record_t *)malloc(sizeof *item);
- memset(item, 0, sizeof *item);
- strcpy(item->key.filename, filename);
- strcpy(item->key.event_path, event_path);
- item->key.event_dim = event_dim;
- item->key.crystal_number = crystal_number;
- for (int k = 0; k < NPARAMS_PER_LINE; k++){
- item->solution[k] = params[k];
- }
-
- //Verify the uniqueness of the key
- struct record_t *uniqueness_test;
- HASH_FIND(hh, sol_hash, &item->key, sizeof(struct record_key_t), uniqueness_test); // id already in the hash?
- if (uniqueness_test==NULL) {
- //If not in the table, add
- HASH_ADD(hh, sol_hash, key, sizeof(struct record_key_t), item);
- }
- else{
- //If already in the table, break with error
- printf("Keys to the data must be unique! Verify the combination filename, event, crystal_number");
- return 0;
- }
-
- j=0;
-
- }
- }
-
- fclose(fh);
-
- STATUS("Solution file parsing done. Have %d parameters and %d total entries.\n", nparams_in_solution, nentries)
-
- struct skip_private *dp;
- dp = (struct skip_private *) malloc( sizeof(struct skip_private));
-
- if ( dp == NULL ) return NULL;
-
- dp->cellTemplate = cell;
- dp->sol_hash = sol_hash;
-
- STATUS("Solution lookup table initialized!\n");
-
- return (void *)dp;
-}
-
-//Fonction from pinkindexer.c to update the detector center of individual crystals
-//hack for electron crystallography while crystal_set_det_shift is not working approprietly
-static void update_detector(struct detector *det, double xoffs, double yoffs)
-{
- int i;
-
- for (i = 0; i < det->n_panels; i++) {
- struct panel *p = &det->panels[i];
- p->cnx += xoffs * p->res;
- p->cny += yoffs * p->res;
- }
-}
-
-static int skip_index(struct image *image, void *mpriv, int crystal_number)
-{
- Crystal *cr;
- UnitCell *cell;
- float asx, asy, asz, bsx, bsy, bsz, csx, csy, csz, xshift, yshift, profile_radius, resolution_limit;
- struct record_t *item, *p, *pprime;
- float *sol;
-
- struct skip_private *dp = (struct skip_private *)mpriv;
-
- //Look up the hash table
- item = (struct record_t *)malloc(sizeof *item);
- memset(item, 0, sizeof *item);
- strcpy(item->key.filename, image->filename);
- strcpy(item->key.event_path, *image->event->path_entries);
- item->key.event_dim = *image->event->dim_entries;
- item->key.crystal_number = crystal_number;
-
- HASH_FIND(hh, dp->sol_hash, &item->key, sizeof(struct record_key_t), p); //id already in the hash?
- if (p==NULL) {
- //STATUS("Not indexing file %s, event %s %d \n", image->filename, *image->event->path_entries, *image->event->dim_entries);
- return 0;
- }
-
- sol = &(p->solution)[0];
-
- asx = sol[0];
- asy = sol[1];
- asz = sol[2];
- bsx = sol[3];
- bsy = sol[4];
- bsz = sol[5];
- csx = sol[6];
- csy = sol[7];
- csz = sol[8];
- xshift = sol[9];
- yshift = sol[10];
- profile_radius = sol[11];
- resolution_limit = sol[12];
-
- cr = crystal_new();
- cell = cell_new();
- cell_set_reciprocal(cell, asx * 1e9, asy * 1e9, asz* 1e9, bsx * 1e9, bsy * 1e9, bsz * 1e9, csx * 1e9, csy * 1e9, csz* 1e9);
- cell_set_lattice_type(cell, cell_get_lattice_type(dp->cellTemplate));
- cell_set_centering(cell, cell_get_centering(dp->cellTemplate));
- cell_set_unique_axis(cell, cell_get_unique_axis(dp->cellTemplate));
-
- crystal_set_cell(cr, cell);
- crystal_set_det_shift(cr, xshift * 1e-3, yshift * 1e-3);
- update_detector(image->det, xshift * 1e-3, yshift * 1e-3);
- crystal_set_profile_radius(cr, profile_radius*1e9);
- crystal_set_resolution_limit(cr, resolution_limit*1e9);
- image_add_crystal(image, cr);
-
- //Look for additional crystals
- item->key.crystal_number = crystal_number+1;
- HASH_FIND(hh, dp->sol_hash, &item->key, sizeof(struct record_key_t), pprime); //id already in the hash?
- if (pprime==NULL) {
-
- //If no more crystal, done
- return 1;
- }
- else{
- //If more crystals, recursive call for next crystal in line
- skip_index(image,mpriv,crystal_number+1);
- }
-
-
- dp->sol_hash = NULL; //Clean up local copy of the hash table
-
-
- return 1;
-
-}
-
-
static char *base_indexer_str(IndexingMethod indm)
{
char *str;
@@ -541,7 +233,7 @@ static void *prepare_method(IndexingMethod *m, UnitCell *cell,
break;
case INDEXING_FILE :
- priv = skip_prepare(filename, cell);
+ priv = fromfile_prepare(filename, cell);
break;
case INDEXING_FELIX :
@@ -924,7 +616,7 @@ static int try_indexer(struct image *image, IndexingMethod indm,
case INDEXING_FILE :
set_last_task(last_task, "indexing:file");
int crystal_number = 0;
- r = skip_index(image,mpriv,crystal_number);
+ r = fromfile_index(image, mpriv, crystal_number);
break;
case INDEXING_FELIX :