diff options
| -rw-r--r-- | .gitignore | 1 | ||||
| -rw-r--r-- | src/Makefile.am | 7 | ||||
| -rw-r--r-- | src/powder_plot.c | 111 |
3 files changed, 118 insertions, 1 deletions
@@ -16,4 +16,5 @@ src/get_hkl src/hdfsee src/indexamajig src/compare_hkl +src/powder_plot *~ diff --git a/src/Makefile.am b/src/Makefile.am index 7fd07cad..4142c40f 100644 --- a/src/Makefile.am +++ b/src/Makefile.am @@ -1,4 +1,5 @@ -bin_PROGRAMS = pattern_sim process_hkl get_hkl indexamajig compare_hkl +bin_PROGRAMS = pattern_sim process_hkl get_hkl indexamajig compare_hkl \ + powder_plot if HAVE_GTK bin_PROGRAMS += hdfsee @@ -37,4 +38,8 @@ get_hkl_LDADD = @LIBS@ compare_hkl_SOURCES = compare_hkl.c sfac.c cell.c utils.c reflections.c compare_hkl_LDADD = @LIBS@ +powder_plot_SOURCES = powder_plot.c cell.c utils.c image.c hdf5-file.c \ + detector.c index.c diffraction.c sfac.c dirax.c +powder_plot_LDADD = @LIBS@ + INCLUDES = "-I$(top_srcdir)/data" diff --git a/src/powder_plot.c b/src/powder_plot.c new file mode 100644 index 00000000..3f0c1abd --- /dev/null +++ b/src/powder_plot.c @@ -0,0 +1,111 @@ +/* + * powder_plot.c + * + * Plot powder patterns + * + * (c) 2006-2010 Thomas White <taw@physics.org> + * + * Part of CrystFEL - crystallography with a FEL + * + */ + + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + +#include <stdarg.h> +#include <stdlib.h> +#include <stdio.h> +#include <string.h> +#include <unistd.h> +#include <getopt.h> + +#include "utils.h" +#include "image.h" +#include "detector.h" +#include "index.h" +#include "hdf5-file.h" + + +static void show_help(const char *s) +{ + printf("Syntax: %s [options] <file.h5>\n\n", s); + printf( +"Compare intensity lists.\n" +"\n" +" -h, --help Display this help message.\n" +"\n"); +} + + +int main(int argc, char *argv[]) +{ + int c; + struct image image; + int x, y; + struct hdfile *hdfile; + char *filename = NULL; + + /* Long options */ + const struct option longopts[] = { + {"help", 0, NULL, 'h'}, + {"input", 1, NULL, 'i'}, + {0, 0, NULL, 0} + }; + + /* Short options */ + while ((c = getopt_long(argc, argv, "hi:", longopts, NULL)) != -1) { + + switch (c) { + case 'h' : { + show_help(argv[0]); + return 0; + } + + case 0 : { + break; + } + + case 'i' : { + filename = strdup(optarg); + break; + } + + default : { + return 1; + } + } + + } + + if ( filename == NULL ) { + ERROR("You must specify the input filename with -i\n"); + return 1; + } + + #include "geometry-lcls.tmp" + + hdfile = hdfile_open(filename); + hdfile_set_image(hdfile, "/data/data"); + hdf5_read(hdfile, &image); + + for ( x=0; x<image.width; x++ ) { + for ( y=0; y<image.height; y++ ) { + + double rx, ry, rz; + double q; + int intensity; + + map_position(&image, x, y, &rx, &ry, &rz); + q = modulus(rx, ry, rz); + + intensity = image.data[x + image.width*y]; + + printf("%5i\t%5i\t%7.3f\t%7i\n", x, y, q/1.0e9, intensity); + + } + } + + return 0; +} |