Scine::Molassembler::Shapes::Continuous::Fixed Namespace Reference

Continuous symmetry measures for fixed symmetry elements. More...

Functions
double	element (const PositionCollection &normalizedPositions, const Elements::Rotation &rotation)
	Returns the CSM for a Rotation symmetry element along the rotation axis without optimizing the coordinates' rotation. More...
double	element (const PositionCollection &normalizedPositions, const Elements::Reflection &reflection)
	Returns the CSM for a fixed reflection symmetry element. More...
double	Cinf (const PositionCollection &normalizedPositions, const Eigen::Vector3d &axis)
	Returns the CSM for a fixed-axis infinite order rotation axis. More...

Detailed Description

Continuous symmetry measures for fixed symmetry elements.

Function Documentation

double Scine::Molassembler::Shapes::Continuous::Fixed::Cinf	(	const PositionCollection &	normalizedPositions,
		const Eigen::Vector3d &	axis
	)

Returns the CSM for a fixed-axis infinite order rotation axis.

Parameters

normalizedPositions	Particle positions
axis	Axis of the infinite order rotation

Returns

The CSM along the fixed axis

double Scine::Molassembler::Shapes::Continuous::Fixed::element	(	const PositionCollection &	normalizedPositions,
		const Elements::Rotation &	rotation
	)

Returns the CSM for a Rotation symmetry element along the rotation axis without optimizing the coordinates' rotation.

Parameters

normalizedPositions	Particle positions
rotation	Symmetry element of rotation Cn/Sn

Precondition

rotation power is one, and its axis is normalized (latter is guaranteed by its constructor)

Returns

The CSM along the fixed axis of rotation

double Scine::Molassembler::Shapes::Continuous::Fixed::element	(	const PositionCollection &	normalizedPositions,
		const Elements::Reflection &	reflection
	)

Returns the CSM for a fixed reflection symmetry element.

Parameters

normalizedPositions	Particle positions
reflection	Symmetry element of reflection

Returns

The CSM along the reflection plane