dofit.cpp File Reference

#include "gmxpre.h"
#include <array>
#include <gtest/gtest.h>
#include "gromacs/math/do_fit.h"
#include "gromacs/math/vec.h"
#include "testutils/testasserts.h"

Include dependency graph for dofit.cpp:

Description

Tests structure similarity measures rmsd and size-independent rho factor.

Author

Christian Blau cblau.nosp@m.@gwd.nosp@m.g.de