diff options
| -rw-r--r-- | Makefile.am | 2 | ||||
| -rw-r--r-- | Makefile.in | 2 | ||||
| -rw-r--r-- | src/Makefile.am | 2 | ||||
| -rw-r--r-- | src/Makefile.in | 5 | ||||
| -rw-r--r-- | src/process_hkl.c | 9 | ||||
| -rw-r--r-- | src/symmetry.c | 23 | ||||
| -rw-r--r-- | src/symmetry.h | 22 |
7 files changed, 59 insertions, 6 deletions
diff --git a/Makefile.am b/Makefile.am index 7d83b292..ad9deea9 100644 --- a/Makefile.am +++ b/Makefile.am @@ -5,5 +5,5 @@ EXTRA_DIST = configure src/cell.h src/hdf5-file.h src/image.h \ data/displaywindow.ui src/dirax.h src/peaks.h src/index.h \ src/filters.h src/diffraction-gpu.h src/cl-utils.h \ data/defs.h src/parameters-lcls.tmp \ - data/diffraction.cl data/sfac src/likelihood.h + data/diffraction.cl data/sfac src/likelihood.h src/symmetry.h SUBDIRS = src data diff --git a/Makefile.in b/Makefile.in index 70b5907a..f017b5e7 100644 --- a/Makefile.in +++ b/Makefile.in @@ -202,7 +202,7 @@ EXTRA_DIST = configure src/cell.h src/hdf5-file.h src/image.h \ data/displaywindow.ui src/dirax.h src/peaks.h src/index.h \ src/filters.h src/diffraction-gpu.h src/cl-utils.h \ data/defs.h src/parameters-lcls.tmp \ - data/diffraction.cl data/sfac src/likelihood.h + data/diffraction.cl data/sfac src/likelihood.h src/symmetry.h SUBDIRS = src data all: config.h diff --git a/src/Makefile.am b/src/Makefile.am index 82361202..5a9cd309 100644 --- a/src/Makefile.am +++ b/src/Makefile.am @@ -17,7 +17,7 @@ endif pattern_sim_LDADD = @LIBS@ process_hkl_SOURCES = process_hkl.c sfac.c statistics.c cell.c utils.c \ - reflections.c likelihood.c + reflections.c likelihood.c symmetry.c process_hkl_LDADD = @LIBS@ indexamajig_SOURCES = indexamajig.c hdf5-file.c utils.c cell.c image.c \ diff --git a/src/Makefile.in b/src/Makefile.in index fef3e01d..403e790e 100644 --- a/src/Makefile.in +++ b/src/Makefile.in @@ -104,7 +104,7 @@ powder_plot_OBJECTS = $(am_powder_plot_OBJECTS) powder_plot_DEPENDENCIES = am_process_hkl_OBJECTS = process_hkl.$(OBJEXT) sfac.$(OBJEXT) \ statistics.$(OBJEXT) cell.$(OBJEXT) utils.$(OBJEXT) \ - reflections.$(OBJEXT) likelihood.$(OBJEXT) + reflections.$(OBJEXT) likelihood.$(OBJEXT) symmetry.$(OBJEXT) process_hkl_OBJECTS = $(am_process_hkl_OBJECTS) process_hkl_DEPENDENCIES = am_render_hkl_OBJECTS = render_hkl.$(OBJEXT) cell.$(OBJEXT) \ @@ -240,7 +240,7 @@ pattern_sim_SOURCES = pattern_sim.c diffraction.c utils.c image.c \ $(am__append_2) pattern_sim_LDADD = @LIBS@ process_hkl_SOURCES = process_hkl.c sfac.c statistics.c cell.c utils.c \ - reflections.c likelihood.c + reflections.c likelihood.c symmetry.c process_hkl_LDADD = @LIBS@ indexamajig_SOURCES = indexamajig.c hdf5-file.c utils.c cell.c image.c \ @@ -400,6 +400,7 @@ distclean-compile: @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/render_hkl.Po@am__quote@ @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/sfac.Po@am__quote@ @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/statistics.Po@am__quote@ +@AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/symmetry.Po@am__quote@ @AMDEP_TRUE@@am__include@ @am__quote@./$(DEPDIR)/utils.Po@am__quote@ .c.o: diff --git a/src/process_hkl.c b/src/process_hkl.c index d5d934c9..32eaa608 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -246,6 +246,7 @@ int main(int argc, char *argv[]) unsigned int *new_counts = NULL; unsigned int n_total_patterns; unsigned int *truecounts = NULL; + char *sym = NULL; char *pdb = NULL; float f0; int f0_valid; @@ -264,12 +265,14 @@ int main(int argc, char *argv[]) {"sum", 0, &config_sum, 1}, {"detwin", 0, &config_detwin, 1}, {"scale", 0, &config_scale, 1}, + {"symmetry", 0, NULL, 'y'}, {"pdb", 1, NULL, 'p'}, {0, 0, NULL, 0} }; /* Short options */ - while ((c = getopt_long(argc, argv, "hi:e:ro:p:", longopts, NULL)) != -1) { + while ((c = getopt_long(argc, argv, "hi:e:ro:p:y:", + longopts, NULL)) != -1) { switch (c) { case 'h' : @@ -305,6 +308,10 @@ int main(int argc, char *argv[]) pdb = strdup(optarg); break; + case 'y' : + sym = strdup(optarg); + break; + case 0 : break; diff --git a/src/symmetry.c b/src/symmetry.c new file mode 100644 index 00000000..7a6a5ed6 --- /dev/null +++ b/src/symmetry.c @@ -0,0 +1,23 @@ +/* + * symmetry.c + * + * Symmetry + * + * (c) 2006-2010 Thomas White <taw@physics.org> + * + * Part of CrystFEL - crystallography with a FEL + * + */ + + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + +#include <stdlib.h> +#include <stdio.h> +#include <math.h> + +void apply_symmetry(double ref, unsigned int *counts, const char *sym) +{ +} diff --git a/src/symmetry.h b/src/symmetry.h new file mode 100644 index 00000000..de061a63 --- /dev/null +++ b/src/symmetry.h @@ -0,0 +1,22 @@ +/* + * symmetry.h + * + * Symmetry + * + * (c) 2006-2010 Thomas White <taw@physics.org> + * + * Part of CrystFEL - crystallography with a FEL + * + */ + + +#ifndef SYMMETRY_H +#define SYMMETRY_H + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + +extern void apply_symmetry(double ref, unsigned int *counts, const char *sym); + +#endif /* SYMMETRY_H */ |