VinaLC: Parallel Molecular Docking Program

Biochemical and Biophysical Systems Group
VinaLC version: 1.1.2
Public Member Functions | Public Attributes | List of all members
parsing_struct::node_t< T > Struct Template Reference
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Public Member Functions

 node_t (const parsed_atom &a_, sz context_index_)
 
void insert_inflex (non_rigid_parsed &nr)
 
void insert_immobiles_inflex (non_rigid_parsed &nr)
 
void insert (non_rigid_parsed &nr, context &c, const vec &frame_origin)
 
void insert_immobiles (non_rigid_parsed &nr, context &c, const vec &frame_origin)
 

Public Attributes

sz context_index
 
parsed_atom a
 
std::vector< T > ps
 

Constructor & Destructor Documentation

template<typename T >
parsing_struct::node_t< T >::node_t ( const parsed_atom &  a_,
sz  context_index_ 
)
inline

Member Function Documentation

template<typename T >
void parsing_struct::node_t< T >::insert_inflex ( non_rigid_parsed &  nr)
inline

References parsing_struct::node_t< T >::a, non_rigid_parsed::inflex, parsing_struct::node_t< T >::ps, and VINA_FOR_IN.

Referenced by postprocess_residue().

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template<typename T >
void parsing_struct::node_t< T >::insert_immobiles_inflex ( non_rigid_parsed &  nr)
inline

References parsing_struct::node_t< T >::ps, and VINA_FOR_IN.

Referenced by postprocess_residue().

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template<typename T >
void parsing_struct::node_t< T >::insert ( non_rigid_parsed &  nr,
context &  c,
const vec &  frame_origin 
)
inline

References parsing_struct::node_t< T >::a, non_rigid_parsed::atoms, parsing_struct::node_t< T >::context_index, atom::coords, parsing_struct::node_t< T >::ps, and VINA_FOR_IN.

Referenced by postprocess_branch().

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template<typename T >
void parsing_struct::node_t< T >::insert_immobiles ( non_rigid_parsed &  nr,
context &  c,
const vec &  frame_origin 
)
inline

References parsing_struct::node_t< T >::ps, and VINA_FOR_IN.

Referenced by postprocess_branch().

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Member Data Documentation

template<typename T >
sz parsing_struct::node_t< T >::context_index

Referenced by parsing_struct::node_t< T >::insert().

template<typename T >
parsed_atom parsing_struct::node_t< T >::a

Referenced by parsing_struct::node_t< T >::insert(), parsing_struct::node_t< T >::insert_inflex(), postprocess_branch(), and postprocess_residue().

template<typename T >
std::vector<T> parsing_struct::node_t< T >::ps

Referenced by parsing_struct::essentially_empty(), parsing_struct::node_t< T >::insert(), parsing_struct::node_t< T >::insert_immobiles(), parsing_struct::node_t< T >::insert_immobiles_inflex(), parsing_struct::node_t< T >::insert_inflex(), postprocess_branch(), and postprocess_residue().

The documentation for this struct was generated from the following file:

LLNL

LLNL-WEB-613932
LLNL-SM-577132

Lawrence Livermore National Laboratory
7000 East Avenue. Livermore, CA 94550

Operated by Lawrence Livermore National Security, LLC, for the
Department of Energy's National Nuclear Security Administration.

NNSA U.S. DOE LLNS