clustering  0.12
Clustering suite for molecular dynamics trajectories.
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Classes | Functions | Variables
anonymous_namespace{network_builder.cpp} Namespace Reference

Classes

struct  Node
 

Functions

constexpr bool fuzzy_equal (float a, float b, float prec)
 
std::ostream & operator<< (std::ostream &os, const Node &n)
 
void save_network_links (std::string fname, std::map< std::size_t, std::size_t > network)
 
void save_node_info (std::string fname, std::map< std::size_t, float > free_energies, std::map< std::size_t, std::size_t > pops)
 
std::set< std::size_t > compute_and_save_leaves (std::string fname, std::map< std::size_t, std::size_t > network)
 
void save_traj_of_leaves (std::string fname, std::set< std::size_t > leaves, float d_min, float d_max, float d_step, std::string remapped_name, std::size_t n_rows)
 
void save_network_to_html (std::string fname, std::map< std::size_t, std::size_t > network, std::map< std::size_t, float > free_energies, std::map< std::size_t, std::size_t > pops)
 

Variables

int HORIZONTAL_SPACING = 10
 
int VERTICAL_SPACING = 50
 
std::size_t POP_MIN = 0
 
std::size_t POP_MAX = 0
 
float FE_MIN = 0.0f
 
float FE_MAX = 0.0f