T_Molecular_primitive_internal_coordinates< ConformationType, CovalentStructure > Class Template Reference

Computes the internal coordinates from the covalent structure of a molecular conformation. More...

#include <Molecular_primitive_internal_coordinates.hpp>

Constructors
	T_Molecular_primitive_internal_coordinates (void)
	Builds an empty covalent structure.

Detailed Description

template<class ConformationType, class CovalentStructure>
class SBL::CSB::T_Molecular_primitive_internal_coordinates< ConformationType, CovalentStructure >

Computes the internal coordinates from the covalent structure of a molecular conformation.

Computes the internal coordinates from the covalent structure of a molecular conformation.

Template Parameters

ConformationType	Geometry of a molecule (coordinates of its particles).
CovalentStructure	Graph representing the covalent structure of a conformation.

Constructor & Destructor Documentation

T_Molecular_primitive_internal_coordinates()

template<class ConformationType, class CovalentStructure>

T_Molecular_primitive_internal_coordinates ( void )

inline

Builds an empty covalent structure.