#include #include using namespace sc; main(int argc, char *argv[]) { Ref pg = new PointGroup(argv[1]); Ref pg2; if (argc > 2) pg2 = new PointGroup(argv[2]); //pg.char_table().print(); CharacterTable ct = pg->char_table(); CharacterTable ct2; ct2=ct; ct.print(); if (pg2.nonnull()) { pg2->char_table().print(); if (argc <= 3) { CorrelationTable corrtab(pg,pg2); corrtab.print(); } } // test given axis rearrangements for (int i=3; isymm_frame().zero(); for (int j=0; j<3; j++) { if (argv[i][j] == 'x') pg2->symm_frame()(j,0) = 1.0; else if (argv[i][j] == 'y') pg2->symm_frame()(j,1) = 1.0; else if (argv[i][j] == 'z') pg2->symm_frame()(j,2) = 1.0; } CorrelationTable corrtab(pg,pg2); corrtab.print(); } }