/// \brief Parse an hbond from the specified string from within a DSSP line
dsspfile_hbond_opt dssp_dupl_fixture::parse_dsspfile_bond(const string &arg_hbond_string ///< The string containing the DSSP h-bond data (eg "-2,-2.6")
) {
const str_vec parts = split_build<str_vec>( arg_hbond_string, is_any_of( "," ), token_compress_on );
if ( parts.size() != 2 ) {
BOOST_THROW_EXCEPTION(runtime_error_exception("Did not find two parts in DSSP file h-bond"));
}
const int offset = stoi( trim_copy( parts.front() ) );
const double energy = stod( trim_copy( parts.back () ) );
if ( offset == 0 ) {
if ( energy != 0.0 ) {
BOOST_THROW_EXCEPTION(runtime_error_exception("Whilst try to parse H-bond from DSSP file data, non-zero energy for zero offset"));
}
return none;
}
else {
return dsspfile_hbond{ offset, energy };
}
}
