AA typedef | protocols::optimize_weights::DDGMutationOptEData | |
add_mutant(SingleStructureDataOP mut) | protocols::optimize_weights::DDGMutationOptEData | |
add_wt(SingleStructureDataOP wt) | protocols::optimize_weights::DDGMutationOptEData | |
DDGMutationOptEData() | protocols::optimize_weights::DDGMutationOptEData | |
EnergyMap typedef | protocols::optimize_weights::OptEPositionData | |
experimental_ddG_ | protocols::optimize_weights::DDGMutationOptEData | protected |
get_score(Multivec const &component_weights, Multivec const &vars, Multivec &dE_dvars, Size const num_energy_dofs, int const num_ref_dofs, int const num_total_dofs, EnergyMap const &fixed_terms, ScoreTypes const &score_list, ScoreTypes const &fixed_score_list) const | protocols::optimize_weights::DDGMutationOptEData | virtual |
memory_use() const | protocols::optimize_weights::DDGMutationOptEData | virtual |
Multivec typedef | protocols::optimize_weights::OptEPositionData | |
mut_aa_ | protocols::optimize_weights::DDGMutationOptEData | protected |
muts_ | protocols::optimize_weights::DDGMutationOptEData | protected |
OptEPositionData() | protocols::optimize_weights::OptEPositionData | |
print_score(std::ostream &ostr, Multivec const &component_weights, Multivec const &vars, Multivec &dE_dvars, Size const num_energy_dofs, int const num_ref_dofs, int const num_total_dofs, EnergyMap const &fixed_terms, ScoreTypes const &score_list, ScoreTypes const &fixed_score_list) const | protocols::optimize_weights::DDGMutationOptEData | virtual |
process_score(std::ostream &ostr, bool print, Multivec const &component_weights, Multivec const &vars, Multivec &dE_dvars, Size const num_energy_dofs, int const num_ref_dofs, int const num_total_dofs, EnergyMap const &fixed_terms, ScoreTypes const &score_list, ScoreTypes const &fixed_score_list) const | protocols::optimize_weights::DDGMutationOptEData | |
range(ScoreTypes const &free_score_list, ScoreTypes const &fixed_score_list, EnergyMap &lower_bound, EnergyMap &upper_bound) const | protocols::optimize_weights::DDGMutationOptEData | virtual |
read_from_binary_file(std::ifstream &infile) | protocols::optimize_weights::DDGMutationOptEData | virtual |
read_from_file(std::ifstream &infile) | protocols::optimize_weights::DDGMutationOptEData | virtual |
Real typedef | protocols::optimize_weights::OptEPositionData | |
ScoreTypes typedef | protocols::optimize_weights::OptEPositionData | |
set_experimental_ddg(Real ddg) | protocols::optimize_weights::DDGMutationOptEData | |
set_mut_aa(AA mut_aa) | protocols::optimize_weights::DDGMutationOptEData | |
set_wt_aa(AA wt_aa) | protocols::optimize_weights::DDGMutationOptEData | |
size() const | protocols::optimize_weights::DDGMutationOptEData | virtual |
Size typedef | protocols::optimize_weights::OptEPositionData | |
tag(std::string const &tag_in) | protocols::optimize_weights::OptEPositionData | |
tag() const | protocols::optimize_weights::OptEPositionData | |
type() const | protocols::optimize_weights::DDGMutationOptEData | virtual |
update_range(SingleStructureDataCOP structure, ScoreTypes const &free_score_list, ScoreTypes const &fixed_score_list, EnergyMap &lower_bound, EnergyMap &upper_bound) const | protocols::optimize_weights::OptEPositionData | protected |
write_to_binary_file(std::ofstream &outfile) const | protocols::optimize_weights::DDGMutationOptEData | virtual |
write_to_file(std::ofstream &outfile) const | protocols::optimize_weights::DDGMutationOptEData | virtual |
wt_aa_ | protocols::optimize_weights::DDGMutationOptEData | protected |
wts_ | protocols::optimize_weights::DDGMutationOptEData | protected |
~DDGMutationOptEData() | protocols::optimize_weights::DDGMutationOptEData | virtual |
~OptEPositionData() | protocols::optimize_weights::OptEPositionData | virtual |