/* * main.c * * Test harness * * (c) 2006-2008 Thomas White * * synth2d - Two-Dimensional Crystallographic Fourier Synthesis * */ #ifdef HAVE_CONFIG_H #include #endif #include #include "data.h" #include "reflist.h" int main(int argc, char *argv[]) { int i; ReflectionList *reflist = NULL; if ( data_read(argv[1]) ) { return 1; } reflist = data_getreflections(); if ( reflist == NULL ) { printf("data_getreflections() returned NULL\n"); return 1; } printf("---------------- Initial list\n"); printf("%i reflections\n", reflist->n_reflections); for ( i=0; in_reflections; i++ ) { printf("%3i %3i %3i %f\n", reflist->refs[i].h, reflist->refs[i].k, reflist->refs[i].l, reflist->refs[i].amplitude); } printf("---------------- Adding 200 = 1.5\n"); reflist_addref_am(reflist, 2, 0, 0, 1.5); printf("%i reflections\n", reflist->n_reflections); for ( i=0; in_reflections; i++ ) { printf("%3i %3i %3i %f\n", reflist->refs[i].h, reflist->refs[i].k, reflist->refs[i].l, reflist->refs[i].amplitude); } printf("---------------- Removing 100\n"); reflist_delref(reflist, 1, 0, 0); printf("%i reflections\n", reflist->n_reflections); for ( i=0; in_reflections; i++ ) { printf("%3i %3i %3i %f\n", reflist->refs[i].h, reflist->refs[i].k, reflist->refs[i].l, reflist->refs[i].amplitude); } printf("---------------- Trying to remove 000\n"); reflist_delref(reflist, 0, 0, 0); printf("%i reflections\n", reflist->n_reflections); for ( i=0; in_reflections; i++ ) { printf("%3i %3i %3i %f\n", reflist->refs[i].h, reflist->refs[i].k, reflist->refs[i].l, reflist->refs[i].amplitude); } printf("---------------- Trying to add 000 = 5.0\n"); reflist_addref_am(reflist, 0, 0, 0, 5.0); printf("%i reflections\n", reflist->n_reflections); for ( i=0; in_reflections; i++ ) { printf("%3i %3i %3i %f\n", reflist->refs[i].h, reflist->refs[i].k, reflist->refs[i].l, reflist->refs[i].amplitude); } return 0; }