angles_ | core::scoring::sasa::LeGrandSasa | private |
calc_atom_masks(conformation::Residue const &irsd, conformation::Residue const &jrsd, Real const probe_radius, Real const cutoff_distance, utility::vector1< Real > const &radii, id::AtomID_Map< bool > const &atom_subset, id::AtomID_Map< utility::vector1< ObjexxFCL::ubyte > > &atom_mask) const | core::scoring::sasa::LeGrandSasa | |
calculate(const pose::Pose &pose, const id::AtomID_Map< bool > &atom_subset, id::AtomID_Map< Real > &atom_sasa, utility::vector1< Real > &rsd_sasa) | core::scoring::sasa::LeGrandSasa | virtual |
get_2way_orientation(Vector const &a_xyz, Vector const &b_xyz, int &phi_a2b_index, int &theta_a2b_index, int &phi_b2a_index, int &theta_b2a_index, Real distance_ijxyz) const | core::scoring::sasa::LeGrandSasa | |
get_angles() const | core::scoring::sasa::LeGrandSasa | |
get_masks() const | core::scoring::sasa::LeGrandSasa | |
get_name() const | core::scoring::sasa::LeGrandSasa | virtual |
get_orientation(Vector const &a_xyz, Vector const &b_xyz, int &phi_index, int &theta_index, Real distance_ijxyz) const | core::scoring::sasa::LeGrandSasa | |
get_overlap(Real const radius_a, Real const radius_b, Real const distance_ijxyz, int °ree_of_overlap) const | core::scoring::sasa::LeGrandSasa | |
include_probe_radius_ | core::scoring::sasa::SasaMethod | protected |
init() | core::scoring::sasa::LeGrandSasa | private |
LeGrandSasa(Real probe_radius, SasaRadii radii_set) | core::scoring::sasa::LeGrandSasa | |
maskbits_ | core::scoring::sasa::LeGrandSasa | private |
masks_ | core::scoring::sasa::LeGrandSasa | private |
num_bytes_ | core::scoring::sasa::LeGrandSasa | private |
num_orientations_ | core::scoring::sasa::LeGrandSasa | private |
num_overlaps_ | core::scoring::sasa::LeGrandSasa | private |
num_phi_ | core::scoring::sasa::LeGrandSasa | private |
num_theta_ | core::scoring::sasa::LeGrandSasa | private |
print_dot_bit_string(utility::vector1< ObjexxFCL::ubyte > &values) const | core::scoring::sasa::LeGrandSasa | private |
probe_radius_ | core::scoring::sasa::SasaMethod | protected |
radii_set_ | core::scoring::sasa::SasaMethod | protected |
read_angles() | core::scoring::sasa::LeGrandSasa | private |
read_masks() | core::scoring::sasa::LeGrandSasa | private |
SasaMethod(Real probe_radius, SasaRadii radii_set) | core::scoring::sasa::SasaMethod | |
set_include_probe_radius_in_calc(bool include_probe_radius) | core::scoring::sasa::SasaMethod | |
set_probe_radius(Real probe_radius) | core::scoring::sasa::SasaMethod | |
set_radii_set(SasaRadii radii_set) | core::scoring::sasa::SasaMethod | |
set_use_big_polar_hydrogen(bool big_polar_h) | core::scoring::sasa::SasaMethod | |
use_big_polar_H_ | core::scoring::sasa::SasaMethod | protected |
~LeGrandSasa() | core::scoring::sasa::LeGrandSasa | virtual |
~SasaMethod() | core::scoring::sasa::SasaMethod | virtual |