bridgeObjects.hh File Reference

Header file for bridgeObjects code for ALC. More...

#include <numeric/types.hh>
#include <utility/vector1.fwd.hh>

Namespaces
	numeric
	Unit headers.
	numeric::kinematic_closure

Functions
void	numeric::kinematic_closure::bridgeObjects (const utility::vector1< utility::vector1< Real > > &atoms, const utility::vector1< Real > &dt, const utility::vector1< Real > &da, const utility::vector1< Real > &db, const utility::vector1< int > &pivots, const utility::vector1< int > &order, utility::vector1< utility::vector1< Real > > &t_ang, utility::vector1< utility::vector1< Real > > &b_ang, utility::vector1< utility::vector1< Real > > &b_len, int &nsol)
	Solve the triaxial loop closure problem for a system of atoms. More...
void	numeric::kinematic_closure::chainTORS (const int &n, const utility::vector1< utility::vector1< Real > > &atoms, utility::vector1< Real > &t_ang, utility::vector1< Real > &b_ang, utility::vector1< Real > &b_len, utility::vector1< Real > &R0, utility::vector1< utility::vector1< Real > > &Q)
Real	numeric::kinematic_closure::torsion (const utility::vector1< Real > &a, const utility::vector1< Real > &b, const utility::vector1< Real > &c, const utility::vector1< Real > &d)
void	numeric::kinematic_closure::chainXYZ (const int &n, const utility::vector1< Real > &b_len1, const utility::vector1< Real > &b_ang1, const utility::vector1< Real > &t_ang1, const bool space, const utility::vector1< Real > &R0, const utility::vector1< utility::vector1< Real > > &Q, utility::vector1< utility::vector1< Real > > &atoms)
void	numeric::kinematic_closure::chainXYZ (const int &n, const utility::vector1< Real > &b_len, const utility::vector1< Real > &b_ang, const utility::vector1< Real > &t_ang, utility::vector1< utility::vector1< Real > > &atoms)
Real	numeric::kinematic_closure::bondangle (const utility::vector1< Real > &a, const utility::vector1< Real > &b, const utility::vector1< Real > &c)

Detailed Description

Header file for bridgeObjects code for ALC.

Author

Evangelos A. Coutsias

Daniel J. Mandell