VinaLC: Parallel Molecular Docking Program

Biochemical and Biophysical Systems Group
VinaLC version: 1.1.2

heterotree< Node > Struct Template Reference

#include <tree.h>

Inheritance diagram for heterotree< Node >:

Public Member Functions

 heterotree (const Node &node_)
 
void set_conf (const atomv &atoms, vecv &coords, const ligand_conf &c)
 
void set_conf (const atomv &atoms, vecv &coords, const residue_conf &c)
 
void derivative (const vecv &coords, const vecv &forces, ligand_change &c) const
 
void derivative (const vecv &coords, const vecv &forces, residue_change &c) const
 

Public Attributes

Node node
 
branches children
 

Constructor & Destructor Documentation

template<typename Node >
heterotree< Node >::heterotree ( const Node &  node_)
inline

Member Function Documentation

template<typename Node >
void heterotree< Node >::set_conf ( const atomv atoms,
vecv coords,
const ligand_conf c 
)
inline
template<typename Node >
void heterotree< Node >::set_conf ( const atomv atoms,
vecv coords,
const residue_conf c 
)
inline

References branches_set_conf(), heterotree< Node >::children, heterotree< Node >::node, and residue_conf::torsions.

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template<typename Node >
void heterotree< Node >::derivative ( const vecv coords,
const vecv forces,
ligand_change c 
) const
inline
template<typename Node >
void heterotree< Node >::derivative ( const vecv coords,
const vecv forces,
residue_change c 
) const
inline

References branches_derivative(), heterotree< Node >::children, heterotree< Node >::node, and residue_change::torsions.

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Member Data Documentation

template<typename Node >
Node heterotree< Node >::node
template<typename Node >
branches heterotree< Node >::children

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