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Rosetta
2020.11
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Classes | |
class | PDinter |
class | PDsphere |
class | PDvertex |
class | PowerDiagram |
class | SAnode |
Typedefs | |
typedef utility::pointer::shared_ptr < PDsphere > | PDsphereOP |
typedef utility::pointer::shared_ptr < PDsphere const > | PDsphereCOP |
typedef utility::pointer::shared_ptr < PDvertex > | PDvertexOP |
typedef utility::pointer::shared_ptr < PDvertex const > | PDvertexCOP |
typedef utility::pointer::shared_ptr < PDinter > | PDinterOP |
typedef utility::pointer::shared_ptr < PDinter const > | PDinterCOP |
typedef utility::pointer::shared_ptr < PowerDiagram > | PowerDiagramOP |
typedef utility::pointer::shared_ptr < PowerDiagram const > | PowerDiagramCOP |
typedef numeric::xyzVector < core::Real > | Vector |
typedef numeric::xyzMatrix < core::Real > | Matrix |
Functions | |
bool | matches_ptr (PDvertexOP elem, PDvertex *test) |
Real | power_distance (Vector const &pt, PDsphere const *sph) |
void | find_intersections (PDsphere const *psph, PDvertex const *vrt1, PDvertex const *vrt2, Vector const &start_pt, Vector const &dir, Real const max_extent, std::list< PDinterOP > &intersections) |
bool | find_intersections (PDsphereCOP psph, Vector const &start_pt, Vector const &dir, Real const max_extent) |
void | find_common_intersection_atoms (PDinterOP inter) |
utility::vector1 < utility::vector1< SAnode > > | get_cycles_from_intersections (std::list< PDinterOP > &inters, PDsphere const *this_sph) |
Real | get_sasa_from_cycles (utility::vector1< utility::vector1< SAnode > > &cycles, PDsphere *this_sph) |
void | get_derivs_from_cycles (utility::vector1< utility::vector1< SAnode > > &cycles, PDsphere *this_atom, PDsphere *check_atom, Vector &f1, Vector &f2) |
void | get_derivs_from_cycle (utility::vector1< SAnode > &cycle, PDsphere *this_atom, PDsphere *check_atom, Vector &f1, Vector &f2) |
bool | share_axis_atoms (PDinter const *v1, PDsphere const *a1, PDsphere const *a2) |
Real | get_area_from_cycle (PDsphere *this_atom, utility::vector1< SAnode > &cycle) |
Vector | vertex_xyz_from_generators (PDsphere const *a1, PDsphere const *a2, PDsphere const *a3, PDsphere const *a4) |
Vector | vertex_xyz_from_generators (utility::vector1< PDsphere * > const &gen) |
void | print_points (std::list< PDinterOP > &inters) |
void | print_partners (PDvertexCOP vrt) |
void | print_generators (PDvertexCOP vrt) |
void | print_vertices (std::list< PDvertexOP > &fv, std::list< PDvertexOP > &iv) |
void | print_vertices (std::list< PDvertexOP > &v) |
PDvertex * | find_next_vertex_with_smallest_dist (PDvertex *srch_vrt, PDsphereOP &new_sph, Real &this_dist) |
void | link_vertex_to_generators (PDvertexOP vrt) |
typedef numeric::xyzMatrix< core::Real > core::scoring::power_diagram::Matrix |
typedef utility::pointer::shared_ptr< PDinter const > core::scoring::power_diagram::PDinterCOP |
typedef utility::pointer::shared_ptr< PDinter > core::scoring::power_diagram::PDinterOP |
typedef utility::pointer::shared_ptr< PDsphere const > core::scoring::power_diagram::PDsphereCOP |
typedef utility::pointer::shared_ptr< PDsphere > core::scoring::power_diagram::PDsphereOP |
typedef utility::pointer::shared_ptr< PDvertex const > core::scoring::power_diagram::PDvertexCOP |
typedef utility::pointer::shared_ptr< PDvertex > core::scoring::power_diagram::PDvertexOP |
typedef utility::pointer::shared_ptr< PowerDiagram const > core::scoring::power_diagram::PowerDiagramCOP |
typedef utility::pointer::shared_ptr< PowerDiagram > core::scoring::power_diagram::PowerDiagramOP |
typedef numeric::xyzVector< core::Real > core::scoring::power_diagram::Vector |
void core::scoring::power_diagram::find_common_intersection_atoms | ( | PDinterOP | inter | ) |
core::Real core::scoring::power_diagram::get_area_from_cycle | ( | PDsphere * | this_atom, |
utility::vector1< SAnode > & | cycle | ||
) |
utility::vector1< utility::vector1< SAnode > > core::scoring::power_diagram::get_cycles_from_intersections | ( | std::list< PDinterOP > & | inters, |
PDsphere const * | this_sph | ||
) |
void core::scoring::power_diagram::get_derivs_from_cycle | ( | utility::vector1< SAnode > & | cycle, |
PDsphere * | this_atom, | ||
PDsphere * | check_atom, | ||
Vector & | f1, | ||
Vector & | f2 | ||
) |
References core::scoring::power_diagram::PDsphere::rad(), TR(), and core::scoring::power_diagram::PDsphere::xyz().
Referenced by get_derivs_from_cycles().
void core::scoring::power_diagram::get_derivs_from_cycles | ( | utility::vector1< utility::vector1< SAnode > > & | cycles, |
PDsphere * | this_atom, | ||
PDsphere * | check_atom, | ||
Vector & | f1, | ||
Vector & | f2 | ||
) |
References get_derivs_from_cycle().
Referenced by core::scoring::SASAPotential::eval_residue_pair_derivatives().
core::Real core::scoring::power_diagram::get_sasa_from_cycles | ( | utility::vector1< utility::vector1< SAnode > > & | cycles, |
PDsphere * | this_sph | ||
) |
References get_area_from_cycle(), and core::scoring::power_diagram::PDsphere::rad2().
Referenced by core::scoring::power_diagram::PowerDiagram::extract_sasa_for_atom().
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inline |
bool core::scoring::power_diagram::matches_ptr | ( | PDvertexOP | elem, |
PDvertex * | test | ||
) |
core::Real core::scoring::power_diagram::power_distance | ( | Vector const & | pt, |
PDsphere const * | sph | ||
) |
References core::scoring::power_diagram::PDsphere::rad2(), and core::scoring::power_diagram::PDsphere::xyz().
Referenced by core::scoring::power_diagram::PowerDiagram::add_single_atom_to_power_diagram(), find_next_vertex_with_smallest_dist(), and core::scoring::power_diagram::PowerDiagram::make_initial_power_diagram().
void core::scoring::power_diagram::print_generators | ( | PDvertexCOP | vrt | ) |
References TR().
Referenced by print_vertices().
void core::scoring::power_diagram::print_partners | ( | PDvertexCOP | vrt | ) |
References TR().
Referenced by print_vertices().
void core::scoring::power_diagram::print_points | ( | std::list< PDinterOP > & | inters | ) |
References core::chemical::element::F, core::chemical::element::I, and TR().
void core::scoring::power_diagram::print_vertices | ( | std::list< PDvertexOP > & | fv, |
std::list< PDvertexOP > & | iv | ||
) |
void core::scoring::power_diagram::print_vertices | ( | std::list< PDvertexOP > & | v | ) |
bool core::scoring::power_diagram::share_axis_atoms | ( | PDinter const * | v1, |
PDsphere const * | a1, | ||
PDsphere const * | a2 | ||
) |
References core::scoring::power_diagram::PDinter::atoms().
Referenced by get_cycles_from_intersections().
Vector core::scoring::power_diagram::vertex_xyz_from_generators | ( | PDsphere const * | a1, |
PDsphere const * | a2, | ||
PDsphere const * | a3, | ||
PDsphere const * | a4 | ||
) |
Vector core::scoring::power_diagram::vertex_xyz_from_generators | ( | utility::vector1< PDsphere * > const & | gen | ) |