change Struct Reference

#include <conf.h>

Public Member Functions
	change (const conf_size &s)
fl	operator() (sz index) const
fl &	operator() (sz index)
sz	num_floats () const
void	print () const

Public Attributes
std::vector< ligand_change >	ligands
std::vector< residue_change >	flex

Constructor & Destructor Documentation

change::change ( const conf_size &  s )

inline

References conf_size::flex, flex, conf_size::ligands, ligands, and VINA_FOR_IN.

Member Function Documentation

fl change::operator() ( sz  index ) const

inline

References flex, ligands, rigid_change::orientation, rigid_change::position, ligand_change::rigid, ligand_change::torsions, residue_change::torsions, VINA_CHECK, and VINA_FOR_IN.

fl& change::operator() ( sz  index )

inline

References flex, ligands, rigid_change::orientation, rigid_change::position, ligand_change::rigid, ligand_change::torsions, residue_change::torsions, VINA_CHECK, and VINA_FOR_IN.

sz change::num_floats ( ) const

inline

References flex, ligands, and VINA_FOR_IN.

void change::print ( ) const

inline

References flex, ligands, and VINA_FOR_IN.

Member Data Documentation

std::vector<ligand_change> change::ligands

Referenced by change(), model::eval_deriv(), conf::increment(), num_floats(), operator()(), and print().

std::vector<residue_change> change::flex

Referenced by change(), model::eval_deriv(), conf::increment(), num_floats(), operator()(), and print().

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

• conf.h