diff --git a/modules/mol/alg/src/svd_superpose.cc b/modules/mol/alg/src/svd_superpose.cc index 59adf6141d3fcab79dd11753127ea49833c101e7..b8f7759391399723eda64a3e2fb3c291c1cdbc68 100644 --- a/modules/mol/alg/src/svd_superpose.cc +++ b/modules/mol/alg/src/svd_superpose.cc @@ -113,6 +113,13 @@ Real CalculateRMSD(const mol::EntityView& ev1, const mol::EntityView& ev2, const geom::Mat4& transformation) { + if(ev1.GetAtomCount() != ev2.GetAtomCount()) { + std::stringstream ss; + ss << "Number of atoms in input views must be consistent! "; + ss << ev1.GetAtomCount() << " vs. " << ev2.GetAtomCount(); + throw Error(ss.str()); + } + return calc_rmsd_for_atom_lists(ev1.GetAtomList(), ev2.GetAtomList(), transformation); }