molecule symmetry detector

Public Member Functions
	MolCnSymmAxisDetector (int symm_deg, const atom::Hierarchies &mhs)

float	calc_symm_score (int symm_axis_ind) const
	calculate the symmetry score around an axis

algebra::PrincipalComponentAnalysis	get_pca () const

algebra::Vector3D	get_symmetry_axis () const

int	get_symmetry_axis_index () const

void	show (std::ostream &out=std::cout) const

Protected Attributes
algebra::Transformation3D	from_native_

atom::Hierarchies	mhs_

algebra::PrincipalComponentAnalysis	pca_

int	symm_deg_

algebra::Transformation3D	to_native_

Floats	values_

IMP::algebra::Vector3Ds	vecs_

Detailed Description

Definition at line 24 of file MolCnSymmAxisDetector.h.

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

Public Member Functions