Pteros  2.0
Molecular modeling library for human beings!
distance_search.h File Reference
#include "pteros/core/selection.h"
#include "pteros/core/distance_search_within.h"

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Namespaces

 pteros
 Pteros namespace.
 

Functions

void pteros::search_contacts (float d, const Selection &sel, std::vector< Eigen::Vector2i > &pairs, bool absolute_index=false, bool periodic=false, std::vector< float > *dist_vec=nullptr)
 Search contacts within single selection Optionally returns distances for each pair. More...
 
void pteros::search_contacts (float d, const Selection &sel1, const Selection &sel2, std::vector< Eigen::Vector2i > &pairs, bool absolute_index=false, bool periodic=false, std::vector< float > *dist_vec=nullptr)
 Search contacts between two selections.
 
void pteros::search_within (float d, const Selection &src, const Selection &target, std::vector< int > &res, bool include_self=true, bool periodic=false)
 Search atoms from source selection around the traget selection Returns absolute indexes only!