diff options
Diffstat (limited to 'src/index.c')
| -rw-r--r-- | src/index.c | 149 |
1 files changed, 0 insertions, 149 deletions
diff --git a/src/index.c b/src/index.c index 4d2a158f..69711b42 100644 --- a/src/index.c +++ b/src/index.c @@ -108,152 +108,6 @@ void cleanup_indexing(IndexingPrivate **priv) } -static void write_drx(struct image *image) -{ - FILE *fh; - int i; - char filename[1024]; - - snprintf(filename, 1023, "xfel-%i.drx", image->id); - - fh = fopen(filename, "w"); - if ( !fh ) { - ERROR("Couldn't open temporary file xfel.drx\n"); - return; - } - fprintf(fh, "%f\n", 0.5); /* Lie about the wavelength. */ - - for ( i=0; i<image_feature_count(image->features); i++ ) { - - struct imagefeature *f; - - f = image_get_feature(image->features, i); - if ( f == NULL ) continue; - - fprintf(fh, "%10f %10f %10f %8f\n", - f->rx/1e10, f->ry/1e10, f->rz/1e10, 1.0); - - } - fclose(fh); -} - - -/* write .spt file for mosflm */ -/* need to sort mosflm peaks by intensity... */ -struct sptline { - double x; /* x coordinate of peak */ - double y; /* y coordinate of peak */ - double h; /* height of peak */ - double s; /* sigma of peak */ -}; - - -static int compare_vals(const void *ap, const void *bp) -{ - const struct sptline a = *(struct sptline *)ap; - const struct sptline b = *(struct sptline *)bp; - - if ( a.h < b.h ) return 1; - if ( a.h > b.h ) return -1; - return 0; -} - - -static void write_spt(struct image *image) -{ - FILE *fh; - int i; - char filename[1024]; - double fclen=67.8; /* fake camera length in mm */ - double fpix=0.075; /* fake pixel size in mm */ - double pix; - double height=100; - double sigma=1; - int nPeaks = image_feature_count(image->features); - - snprintf(filename, 1023, "xfel-%i.spt", image->id); - - fh = fopen(filename, "w"); - if ( !fh ) { - ERROR("Couldn't open temporary file xfel.spt\n"); - return; - } - - fprintf(fh, "%10d %10d %10.8f %10.6f %10.6f\n", 1, 1, fpix, 1.0, 0.0); - fprintf(fh, "%10d %10d\n", 1, 1); - fprintf(fh, "%10.5f %10.5f\n", 0.0, 0.0); - - struct sptline *sptlines; - sptlines = malloc(sizeof(struct sptline)*nPeaks); - - for ( i=0; i<nPeaks; i++ ) { - - struct imagefeature *f; - - f = image_get_feature(image->features, i); - if ( f == NULL ) continue; - - struct panel *pan; - pan = find_panel(image->det,f->x,f->y); - if ( pan == NULL ) continue; - - pix = 1000/pan->res; /* pixel size in mm */ - height = f->intensity; - - sptlines[i].x = (f->y - pan->cy)*pix*fclen/pan->clen/1000; - sptlines[i].y = -(f->x - pan->cx)*pix*fclen/pan->clen/1000; - sptlines[i].h = height; - sptlines[i].s = sigma; - - } - - qsort(sptlines, nPeaks, sizeof(struct sptline), compare_vals); - - for ( i=0; i<nPeaks; i++ ) { - - fprintf(fh, "%10.2f %10.2f %10.2f %10.2f %10.2f %10.2f\n", - sptlines[i].x, sptlines[i].y, - 0.0, 0.0, - sptlines[i].h, sptlines[i].s); - - } - - fprintf(fh,"%10.2f %10.2f %10.2f %10.2f %10.2f %10.2f\n", - -999.0,-999.0,-999.0,-999.0,-999.0,-999.0); - fclose(fh); -} - -/* write a dummy 1x1 pixel image file for mosflm. Without post refinement, - mosflm will ignore this, but it must be present.*/ -void write_img(struct image *image) -{ - FILE *fh; - char filename[1024]; - unsigned short int * intimage; - - intimage = malloc(sizeof(unsigned short int)); - intimage[0] = 1; - - snprintf(filename, 1023, "xfel-%i_001.img", image->id); - - fh = fopen(filename, "w"); - if ( !fh ) { - ERROR("Couldn't open temporary file xfel.spt\n"); - return; - } - - fprintf(fh,"{\nHEADER_BYTES=512;\n"); - fprintf(fh,"BYTE_ORDER=little_endian;\n"); - fprintf(fh,"TYPE=unsigned_short;\n"); - fprintf(fh,"DIM=2;\n"); - fprintf(fh,"SIZE1=1;\n"); - fprintf(fh,"SIZE2=1;\n"); - fprintf(fh,"}\n"); - while ( ftell(fh) < 512 ) { fprintf(fh," "); }; - fwrite(intimage,sizeof(unsigned short int),1,fh); - fclose(fh); -} - void map_all_peaks(struct image *image) { int i; @@ -292,13 +146,10 @@ void index_pattern(struct image *image, UnitCell *cell, IndexingMethod *indm, return; case INDEXING_DIRAX : STATUS("Running DirAx...\n"); - write_drx(image); run_dirax(image); break; case INDEXING_MOSFLM : STATUS("Running MOSFLM...\n"); - write_spt(image); - write_img(image); /* dummy image */ run_mosflm(image, cell); break; case INDEXING_TEMPLATE : |