From f7f3a0630918d7759b4b83d4d516741c3b3dbba1 Mon Sep 17 00:00:00 2001 From: Tom White Date: Mon, 29 Sep 2008 19:13:57 +0100 Subject: Add a new refinement test --- Makefile.am | 2 +- src/.gitignore | 1 + src/Makefile.am | 5 +- src/refinetest3d3.c | 187 ++++++++++++++++++++++++++++++++++++++++++++++++++++ 4 files changed, 193 insertions(+), 2 deletions(-) create mode 100644 src/refinetest3d3.c diff --git a/Makefile.am b/Makefile.am index 2ff295e..7ecf791 100644 --- a/Makefile.am +++ b/Makefile.am @@ -3,5 +3,5 @@ EXTRA_DIST = configure src/displaywindow.h src/trackball.h src/reflections.h src src/itrans-zaefferer.h src/itrans-stat.h src/mapping.h src/reproject.h src/prealign.h \ src/dirax.h src/image.h src/refine.h src/gtk-valuegraph.h src/intensities.h src/glbits.h src/gtk-valuegraph.h SUBDIRS = src data -TESTS = src/refinetest2d src/refinetest3d1 src/refinetest3d2 +TESTS = src/refinetest2d src/refinetest3d1 src/refinetest3d2 src/refinetest3d3 diff --git a/src/.gitignore b/src/.gitignore index 14a1da8..1fbde8f 100644 --- a/src/.gitignore +++ b/src/.gitignore @@ -3,4 +3,5 @@ refinetest2d refinetest3d1 refinetest3d2 +refinetest3d3 dtr diff --git a/src/Makefile.am b/src/Makefile.am index 52986fc..ef32492 100644 --- a/src/Makefile.am +++ b/src/Makefile.am @@ -1,4 +1,4 @@ -bin_PROGRAMS = dtr refinetest2d refinetest3d1 refinetest3d2 +bin_PROGRAMS = dtr refinetest2d refinetest3d1 refinetest3d2 refinetest3d3 dtr_SOURCES = main.c displaywindow.c trackball.c reflections.c readpng.c mrc.c imagedisplay.c utils.c itrans.c qdrp.c cache.c \ itrans-threshold.c itrans-zaefferer.c itrans-stat.c control.c mapping.c reproject.c prealign.c basis.c \ @@ -14,6 +14,9 @@ refinetest3d1_LDADD = @LIBS@ @GTK_LIBS@ -lm -lgsl -lgslcblas -lutil refinetest3d2_SOURCES = refinetest3d2.c reflections.c basis.c utils.c reproject.c image.c refine.c mapping.c control.c refinetest3d2_LDADD = @LIBS@ @GTK_LIBS@ -lm -lgsl -lgslcblas -lutil +refinetest3d3_SOURCES = refinetest3d3.c reflections.c basis.c utils.c reproject.c image.c refine.c mapping.c control.c +refinetest3d3_LDADD = @LIBS@ @GTK_LIBS@ -lm -lgsl -lgslcblas -lutil + AM_CFLAGS = -Wall -g @CFLAGS@ @GTK_CFLAGS@ @GTKGLEXT_CFLAGS@ AM_CPPFLAGS = -DDATADIR=\""$(datadir)"\" -I/usr/include/GL diff --git a/src/refinetest3d3.c b/src/refinetest3d3.c new file mode 100644 index 0000000..ffb72a5 --- /dev/null +++ b/src/refinetest3d3.c @@ -0,0 +1,187 @@ +/* + * refinetest3d3.c + * + * Unit test for refinement procedure in 3D + * + * (c) 2007-2008 Thomas White + * + * dtr - Diffraction Tomography Reconstruction + * + */ + +#ifdef HAVE_CONFIG_H +#include +#endif + +#include +#include + +#include "basis.h" +#include "reflections.h" +#include "image.h" +#include "reproject.h" +#include "refine.h" +#include "utils.h" +#include "mapping.h" +#include "control.h" +#include "displaywindow.h" +#include "mrc.h" + +static int check_cell(Basis *cell, Basis *cell_real) { + + int fail; + + printf(" Refinement Actual\n"); + printf("---------------------------\n"); + printf("ax %+8f %+8f\n", cell->a.x/1e9, cell_real->a.x/1e9); + printf("ay %+8f %+8f\n", cell->a.y/1e9, cell_real->a.y/1e9); + printf("az %+8f %+8f\n", cell->a.z/1e9, cell_real->a.z/1e9); + printf("bx %+8f %+8f\n", cell->b.x/1e9, cell_real->b.x/1e9); + printf("by %+8f %+8f\n", cell->b.y/1e9, cell_real->b.y/1e9); + printf("bz %+8f %+8f\n", cell->b.z/1e9, cell_real->b.z/1e9); + printf("cx %+8f %+8f\n", cell->c.x/1e9, cell_real->c.x/1e9); + printf("cy %+8f %+8f\n", cell->c.y/1e9, cell_real->c.y/1e9); + printf("cz %+8f %+8f\n", cell->c.z/1e9, cell_real->c.z/1e9); + + fail = 0; + if ( fabs(cell->a.x - cell_real->a.x) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: ax not determined correctly (got %8f, should be %8f)\n", + cell->a.x/1e9, cell_real->a.x/1e9); + fail = 1; + } else { + printf("ax is OK.\n"); + } + if ( fabs(cell->a.y - cell_real->a.y) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: ay not determined correctly (got %8f, should be %8f)\n", + cell->a.y/1e9, cell_real->a.y/1e9); + fail = 1; + } else { + printf("ay is OK.\n"); + } + if ( fabs(cell->a.z - cell_real->a.z) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: az not determined correctly (got %8f, should be %8f)\n", + cell->a.z/1e9, cell_real->a.z/1e9); + fail = 1; + } else { + printf("az is OK.\n"); + } + if ( fabs(cell->b.x - cell_real->b.x) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: bx not determined correctly (got %8f, should be %8f)\n", + cell->b.x/1e9, cell_real->b.x/1e9); + fail = 1; + } else { + printf("bx is OK.\n"); + } + if ( fabs(cell->b.y - cell_real->b.y) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: by not determined correctly (got %8f, should be %8f)\n", + cell->b.y/1e9, cell_real->b.y/1e9); + fail = 1; + } else { + printf("by is OK.\n"); + } + if ( fabs(cell->b.z - cell_real->b.z) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: bz not determined correctly (got %8f, should be %8f)\n", + cell->b.z/1e9, cell_real->b.z/1e9); + fail = 1; + } else { + printf("bz is OK.\n"); + } + if ( fabs(cell->c.x - cell_real->c.x) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: cx not determined correctly (got %8f, should be %8f)\n", + cell->c.x/1e9, cell_real->c.x/1e9); + fail = 1; + } else { + printf("cx is OK.\n"); + } + if ( fabs(cell->c.y - cell_real->c.y) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: cy not determined correctly (got %8f, should be %8f)\n", + cell->c.y/1e9, cell_real->c.y/1e9); + fail = 1; + } else { + printf("cx is OK.\n"); + } + if ( fabs(cell->c.z - cell_real->c.z) > 0.01e9 ) { + fprintf(stderr, "refinetest3d: cz not determined correctly (got %8f, should be %8f)\n", + cell->c.z/1e9, cell_real->c.z/1e9); + fail = 1; + } else { + printf("cz is OK.\n"); + } + + return fail; + +} + +int main(int argc, char *argv[]) { + + ControlContext *ctx; + ReflectionList *reflections_real; + Basis *cell_real; + int fail; + int i; + + ctx = control_ctx_new(); + ctx->omega = deg2rad(45.0); + ctx->lambda = lambda(300.0e3); /* 300 keV */ + ctx->fmode = FORMULATION_PIXELSIZE; + ctx->x_centre = 256; + ctx->y_centre = 256; + ctx->pixel_size = 5e7; + for ( i=0; i<90; i++ ) { + image_add(ctx->images, NULL, 512, 512, deg2rad(i), ctx); + ctx->images->images[i].features = image_feature_list_new(); + } + + /* Fudge to avoid horrifying pointer-related death */ + ctx->dw = malloc(sizeof(DisplayWindow)); + ctx->dw->cur_image = 0; + + /* The "true" cell */ + cell_real = malloc(sizeof(Basis)); + cell_real->a.x = 5.0e9; cell_real->a.y = 0.0e9; cell_real->a.z = 0.0e9; + cell_real->b.x = 0.0e9; cell_real->b.y = 5.0e9; cell_real->b.z = 0.0e9; + cell_real->c.x = 0.0e9; cell_real->c.y = 0.0e9; cell_real->c.z = 5.0e9; + /* The "real" reflections */ + reflections_real = reflection_list_from_cell(cell_real); + ctx->images->images[0].features = reproject_get_reflections(&ctx->images->images[0], reflections_real); + ctx->images->images[1].features = reproject_get_reflections(&ctx->images->images[1], reflections_real); + ctx->images->images[2].features = reproject_get_reflections(&ctx->images->images[2], reflections_real); + + /* The "model" cell to be refined */ + ctx->cell = malloc(sizeof(Basis)); + ctx->cell->a.x = 5.0e9; ctx->cell->a.y = 0.1e9; ctx->cell->a.z = 0.1e9; + ctx->cell->b.x = 0.1e9; ctx->cell->b.y = 5.0e9; ctx->cell->b.z = 0.1e9; + ctx->cell->c.x = 0.1e9; ctx->cell->c.y = 0.1e9; ctx->cell->c.z = 5.0e9; + ctx->cell_lattice = reflection_list_from_cell(ctx->cell); + for ( i=0; iimages->n_images; i++ ) { + ctx->images->images[i].rflist = reproject_get_reflections(&ctx->images->images[i], ctx->cell_lattice); + reproject_partner_features(ctx->images->images[i].rflist, &ctx->images->images[i]); + } + + refine_do_cell(ctx); + for ( i=0; iimages->n_images; i++ ) { + image_feature_list_free(ctx->images->images[i].rflist); + } + + fail = check_cell(ctx->cell, cell_real); + + free(ctx); + + if ( fail ) return 1; + + printf("\n3D refinement test OK.\n"); + + return 0; + +} + +/* Dummy function stubs */ +#include "gtk-valuegraph.h" +void displaywindow_update_imagestack(DisplayWindow *dw) { }; +void displaywindow_enable_cell_functions(DisplayWindow *dw, gboolean g) { }; +void displaywindow_update(DisplayWindow *dw) { }; +void displaywindow_error(const char *msg, DisplayWindow *dw) { }; +guint gtk_value_graph_get_type() { return 0; }; +GtkWidget *gtk_value_graph_new() { return NULL; }; +void gtk_value_graph_set_data(GtkValueGraph *vg, double *data, unsigned int n) { }; + -- cgit v1.2.3