/// \brief Label structure with arg_chain_label
void bioplib_pdb::do_set_chain_label(const chain_label &arg_chain_label ///< TODOCUMENT
) {
const string chain_label_str = arg_chain_label.to_string();
if ( chain_label_str.length() != 1 ) {
BOOST_THROW_EXCEPTION(invalid_argument_exception("Unable to set multi-character chain label from bioplib_pdb"));
}
check_ptr();
const size_t my_natoms = get_natoms();
PDB *current = get_ptr();
for (size_t atom_ctr = 0; atom_ctr < my_natoms; ++atom_ctr) {
snprintf(current->chain, 2, "%c", chain_label_str.at( 0 ) );
current = current->next;
}
}
/// \brief TODOCUMENT
inline constexpr bool operator<(const chain_label &arg_chain_label_a, ///< TODOCUMENT
const chain_label &arg_chain_label_b ///< TODOCUMENT
) {
return ( arg_chain_label_a.get_char() < arg_chain_label_b.get_char() );
}
/// \brief TODOCUMENT
bool cath::operator==(const chain_label &arg_chain_label_a, ///< TODOCUMENT
const chain_label &arg_chain_label_b ///< TODOCUMENT
) {
return ( arg_chain_label_a.get_char() == arg_chain_label_b.get_char() );
}
