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core::scoring::rna::RNA_AtomVDW Class Reference

#include <RNA_AtomVDW.hh>

Inheritance diagram for core::scoring::rna::RNA_AtomVDW:
Inheritance graph
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Public Member Functions

 RNA_AtomVDW ()
 ctor, reads data file More...
 
utility::vector1< std::string >
const 
vdw_atom_list (chemical::ResidueType const &rt) const
 
void initialize_rnp_vdw_parameters ()
 
Real bump_parameter (Size const atom1, Size const atom2, chemical::ResidueType const &rsd1, chemical::ResidueType const &rsd2) const
 
Real bump_parameter_rnp (Size const atom_RNA, Size const atom_protein, chemical::ResidueType const &rna_type) const
 

Private Types

typedef std::map< char,
utility::vector1< std::string > > 
AtomList
 

Private Attributes

AtomList rna_vdw_atom_
 
ObjexxFCL::FArray4D< Realrna_vdw_parameter_
 
ObjexxFCL::FArray3D< Realrnp_vdw_parameter_
 

Member Typedef Documentation

typedef std::map< char, utility::vector1< std::string > > core::scoring::rna::RNA_AtomVDW::AtomList
private

Constructor & Destructor Documentation

core::scoring::rna::RNA_AtomVDW::RNA_AtomVDW ( )

ctor, reads data file

ctor, reads data file. Need to configure to allow alternate tables/atom_sets

References core::scoring::rna::get_position_in_vector(), initialize_rnp_vdw_parameters(), core::scoring::rna::rna_residue_name_to_num(), rna_vdw_atom_, and rna_vdw_parameter_.

Member Function Documentation

Real core::scoring::rna::RNA_AtomVDW::bump_parameter ( Size const  atom1,
Size const  atom2,
chemical::ResidueType const &  rsd1,
chemical::ResidueType const &  rsd2 
) const
Real core::scoring::rna::RNA_AtomVDW::bump_parameter_rnp ( Size const  atom_RNA,
Size const  atom_protein,
chemical::ResidueType const &  rna_type 
) const
void core::scoring::rna::RNA_AtomVDW::initialize_rnp_vdw_parameters ( )
utility::vector1< std::string > const core::scoring::rna::RNA_AtomVDW::vdw_atom_list ( chemical::ResidueType const &  rt) const

Member Data Documentation

AtomList core::scoring::rna::RNA_AtomVDW::rna_vdw_atom_
private
ObjexxFCL::FArray4D< Real > core::scoring::rna::RNA_AtomVDW::rna_vdw_parameter_
private

Referenced by bump_parameter(), and RNA_AtomVDW().

ObjexxFCL::FArray3D< Real > core::scoring::rna::RNA_AtomVDW::rnp_vdw_parameter_
private

The documentation for this class was generated from the following files: