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Public Member Functions | Private Types | Private Attributes | List of all members
core::scoring::rna::RNA_AtomVDW Class Reference

#include <RNA_AtomVDW.hh>

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

 RNA_AtomVDW ()
 ctor, reads data file More...
 
utility::vector1< std::string >
const 
vdw_atom_list (char const which_nucleotide) const
 
Real bump_parameter (Size const atom1, Size const atom2, char const which_nucleotide1, char const which_nucleotide2) const
 

Private Types

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

Private Attributes

AtomList rna_vdw_atom_
 
ObjexxFCL::FArray4D< Realrna_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(), 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,
char const  which_nucleotide1,
char const  which_nucleotide2 
) const
utility::vector1< std::string > const core::scoring::rna::RNA_AtomVDW::vdw_atom_list ( char const  which_nucleotide) const

Member Data Documentation

AtomList core::scoring::rna::RNA_AtomVDW::rna_vdw_atom_
private

Referenced by RNA_AtomVDW(), and vdw_atom_list().

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

Referenced by bump_parameter(), and RNA_AtomVDW().


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