VinaLC: Parallel Molecular Docking Program

Biochemical and Biophysical Systems Group
VinaLC version: 1.1.2

appender Class Reference
Collaboration diagram for appender:

Public Member Functions

 appender (const model &a, const model &b)
 
sz operator() (sz x) const
 
atom_index operator() (const atom_index &x) const
 
void update (interacting_pair &ip) const
 
void update (vec &v) const
 
void update (ligand &lig) const
 
void update (residue &r) const
 
void update (parsed_line &p) const
 
void update (atom &a) const
 
template<typename T >
void append (std::vector< T > &a, const std::vector< T > &b)
 
template<typename T >
void coords_append (std::vector< T > &a, const std::vector< T > &b)
 

Public Attributes

bool is_a
 

Private Member Functions

sz new_grid_index (sz x) const
 

Private Attributes

appender_info a_info
 
appender_info b_info
 

Constructor & Destructor Documentation

appender::appender ( const model a,
const model b 
)
inline

Member Function Documentation

sz appender::new_grid_index ( sz  x) const
inlineprivate

References a_info, appender_info::grid_atoms_size, and is_a.

Referenced by operator()().

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sz appender::operator() ( sz  x) const
inline

References a_info, appender_info::atoms_size, b_info, is_a, and appender_info::m_num_movable_atoms.

Referenced by operator()(), and update().

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atom_index appender::operator() ( const atom_index x) const
inline

References atom_index::i, atom_index::in_grid, new_grid_index(), and operator()().

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void appender::update ( interacting_pair ip) const
inline

References interacting_pair::a, interacting_pair::b, and operator()().

Referenced by append(), coords_append(), and update().

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void appender::update ( vec v) const
inline
void appender::update ( ligand lig) const
inline

References ligand::cont, ligand::pairs, atom_range::transform(), transform_ranges(), update(), and VINA_FOR_IN.

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void appender::update ( residue r) const
inline

References transform_ranges().

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void appender::update ( parsed_line p) const
inline

References operator()().

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void appender::update ( atom a) const
inline

References atom::bonds, bond::connected_atom_index, operator()(), and VINA_FOR_IN.

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template<typename T >
void appender::append ( std::vector< T > &  a,
const std::vector< T > &  b 
)
inline

References is_a, update(), vector_append(), VINA_FOR, and VINA_RANGE.

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template<typename T >
void appender::coords_append ( std::vector< T > &  a,
const std::vector< T > &  b 
)
inline

References a_info, b_info, is_a, appender_info::m_num_movable_atoms, update(), and VINA_FOR_IN.

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Member Data Documentation

appender_info appender::a_info
private
appender_info appender::b_info
private

Referenced by coords_append(), and operator()().

bool appender::is_a

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