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Rosetta
3.8
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#include <PseudocontactShiftData.hh>
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void | update_matrix_A () |
Private Attributes | |
core::Size | n_lanthanides_ |
core::Size | n_pcs_spin_ |
utility::vector1 < PCS_line_data_Ts1 > | PCS_data_line_all_spin_ |
utility::vector1 < PCS_data_per_lanthanides_Ts1 > | PCS_data_per_lanthanides_all_ |
utility::vector1 < utility::vector1< core::Real > > | A_all_ |
utility::vector1< core::Real > | X_all_ |
utility::vector1< core::Real > | Y_all_ |
utility::vector1< core::Real > | Z_all_ |
Friends | |
std::ostream & | operator<< (std::ostream &out, const PCS_data_Ts1 &P_d) |
protocols::scoring::methods::pcsTs1::PCS_data_Ts1::PCS_data_Ts1 | ( | ) |
Referenced by clone().
protocols::scoring::methods::pcsTs1::PCS_data_Ts1::~PCS_data_Ts1 | ( | ) |
protocols::scoring::methods::pcsTs1::PCS_data_Ts1::PCS_data_Ts1 | ( | PCS_data_input_Ts1 & | P_d_i | ) |
References protocols::abinitio::filename(), protocols::scoring::methods::pcsTs1::PCS_data_input_Ts1::get_PCS_data_input_reference(), protocols::scoring::methods::pcsTs1::PCS_file_data_Ts1::get_PCS_data_line_all_reference(), protocols::scoring::methods::pcsTs1::PCS_file_data_Ts1::get_weight(), protocols::scoring::methods::pcsTs1::PCS_data_per_lanthanides_Ts1::PCS_data_per_lanthanides_Ts1(), protocols::scoring::methods::pcsTs1::PCS_data_per_lanthanides_Ts1::set_A_index(), and protocols::scoring::methods::pcsTs1::TR_pcs_d_Ts1().
protocols::scoring::methods::pcsTs1::PCS_data_Ts1::PCS_data_Ts1 | ( | PCS_data_input_Ts1 & | P_d_i, |
utility::vector1< bool > const | exclude_residues | ||
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References protocols::abinitio::filename(), protocols::scoring::methods::pcsTs1::PCS_data_input_Ts1::get_PCS_data_input_reference(), protocols::scoring::methods::pcsTs1::PCS_file_data_Ts1::get_PCS_data_line_all_reference(), protocols::scoring::methods::pcsTs1::PCS_file_data_Ts1::get_weight(), protocols::scoring::methods::pcsTs1::PCS_data_per_lanthanides_Ts1::PCS_data_per_lanthanides_Ts1(), protocols::scoring::methods::pcsTs1::PCS_data_per_lanthanides_Ts1::set_A_index(), and protocols::scoring::methods::pcsTs1::TR_pcs_d_Ts1().
protocols::scoring::methods::pcsTs1::PCS_data_Ts1::PCS_data_Ts1 | ( | PCS_data_Ts1 const & | other | ) |
References A_all_, n_lanthanides_, n_pcs_spin_, PCS_data_line_all_spin_, PCS_data_per_lanthanides_all_, X_all_, Y_all_, and Z_all_.
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References PCS_data_Ts1().
core::Size protocols::scoring::methods::pcsTs1::PCS_data_Ts1::get_n_lanthanides | ( | ) | const |
Referenced by protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::calculate_scores_and_tensors_from_pose_and_PCS_data(), protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::dfunc(), protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::dump_PCS_info(), protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::minimize_tensors_from_PCS_data(), protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::operator()(), protocols::scoring::methods::pcsTs1::operator<<(), and protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::show_additional_info().
const utility::vector1< PCS_line_data_Ts1 > & protocols::scoring::methods::pcsTs1::PCS_data_Ts1::get_PCS_data_line_all_spin | ( | ) | const |
utility::vector1< PCS_data_per_lanthanides_Ts1 > & protocols::scoring::methods::pcsTs1::PCS_data_Ts1::get_pcs_data_per_lanthanides_all | ( | ) |
References PCS_data_per_lanthanides_all_.
Referenced by protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::calculate_scores_and_tensors_from_pose_and_PCS_data(), protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::dfunc(), protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::dump_PCS_info(), protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::operator()(), and protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::show_additional_info().
const utility::vector1< PCS_data_per_lanthanides_Ts1 > & protocols::scoring::methods::pcsTs1::PCS_data_Ts1::get_pcs_data_per_lanthanides_all | ( | ) | const |
References PCS_data_per_lanthanides_all_.
const utility::vector1< core::Real > & protocols::scoring::methods::pcsTs1::PCS_data_Ts1::get_X_all | ( | ) | const |
Referenced by protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::dfunc(), protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::dump_PCS_info(), protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::operator()(), and protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::show_additional_info().
const utility::vector1< core::Real > & protocols::scoring::methods::pcsTs1::PCS_data_Ts1::get_Y_all | ( | ) | const |
Referenced by protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::dfunc(), protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::dump_PCS_info(), protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::operator()(), and protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::show_additional_info().
const utility::vector1< core::Real > & protocols::scoring::methods::pcsTs1::PCS_data_Ts1::get_Z_all | ( | ) | const |
Referenced by protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::dfunc(), protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::dump_PCS_info(), protocols::scoring::methods::pcsTs1::TensorsOptimizer_Ts1::operator()(), and protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::show_additional_info().
PCS_data_Ts1 & protocols::scoring::methods::pcsTs1::PCS_data_Ts1::operator= | ( | PCS_data_Ts1 const & | src | ) |
References A_all_, n_lanthanides_, n_pcs_spin_, PCS_data_line_all_spin_, PCS_data_per_lanthanides_all_, X_all_, Y_all_, and Z_all_.
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References A_all_, and PCS_data_per_lanthanides_all_.
Referenced by update_matrix_A_all().
void protocols::scoring::methods::pcsTs1::PCS_data_Ts1::update_matrix_A_all | ( | core::Real const | X, |
core::Real const | Y, | ||
core::Real const | Z | ||
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void protocols::scoring::methods::pcsTs1::PCS_data_Ts1::update_X_Y_Z_all | ( | core::pose::Pose const & | pose | ) |
References core::conformation::Residue::atom(), core::conformation::Residue::has(), PCS_data_line_all_spin_, core::pose::Pose::residue(), core::pose::Pose::size(), X_all_, core::conformation::Atom::xyz(), Y_all_, and Z_all_.
Referenced by protocols::scoring::methods::pcsTs1::PCS_Energy_Ts1::calculate_scores_and_tensors_from_pose_and_PCS_data().
core::Size protocols::scoring::methods::pcsTs1::PCS_data_Ts1::where_is_line | ( | PCS_line_data_Ts1 & | P_l_d | ) |
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Referenced by operator=(), PCS_data_Ts1(), update_matrix_A(), and update_matrix_A_all().
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Referenced by protocols::scoring::methods::pcsTs1::operator<<(), operator=(), and PCS_data_Ts1().
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Referenced by protocols::scoring::methods::pcsTs1::operator<<(), operator=(), PCS_data_Ts1(), and update_matrix_A_all().
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Referenced by get_PCS_data_line_all_spin(), operator=(), PCS_data_Ts1(), update_X_Y_Z_all(), and where_is_line().
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Referenced by operator=(), PCS_data_Ts1(), update_matrix_A_all(), and update_X_Y_Z_all().
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Referenced by operator=(), PCS_data_Ts1(), update_matrix_A_all(), and update_X_Y_Z_all().
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Referenced by operator=(), PCS_data_Ts1(), update_matrix_A_all(), and update_X_Y_Z_all().