MMAtomType.cc

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/// @file   core/chemical/MMAtomType.cc
/// @brief  Molecular mechanics atom type class
/// @author P. Douglas Renfrew (renfrew@unc.edu)

// Project headers
#include <core/chemical/MMAtomType.hh>

// Utility headers
#include <utility/exit.hh>

namespace core {
namespace chemical {

void
MMAtomType::set_parameter( std::string const & param, Real const setting )
{
  if ( param == "LJ_RADIUS" ) {
    lj_radius_ = setting;
  } else if ( param == "LJ_WDEPTH" ) {
    lj_wdepth_ = setting;
  } else if ( param == "LJ_3B_RADIUS" ) {
    lj_three_bond_radius_ = setting;
  } else if ( param == "LJ_3B_WDEPTH" ) {
    lj_three_bond_wdepth_ = setting;
  } else {
    utility_exit_with_message( "unrecognized atomtype parameter "+param );
  }
}

} // chemical
} // core