VinaLC: Parallel Molecular Docking Program

Biochemical and Biophysical Systems Group
VinaLC version: 1.1.2

beads Struct Reference

Public Member Functions

 beads (sz reserve_size, fl radius_sqr_)
 
void add (sz index, const vec &coords)
 

Public Attributes

fl radius_sqr
 
std::vector< std::pair< vec,
szv > > 
data
 

Constructor & Destructor Documentation

beads::beads ( sz  reserve_size,
fl  radius_sqr_ 
)
inline

References data.

Member Function Documentation

void beads::add ( sz  index,
const vec coords 
)
inline

References data, radius_sqr, vec_distance_sqr(), and VINA_FOR_IN.

Referenced by model::assign_bonds().

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Member Data Documentation

fl beads::radius_sqr

Referenced by add().

std::vector<std::pair<vec, szv> > beads::data

Referenced by add(), model::assign_bonds(), and beads().


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