Scine::Molassembler::Stereopermutations::RotationEnumerator Class Reference

Enumerate rotations of stereopermutations in shapes. More...

#include <RotationEnumerator.h>

Data Structures
struct	Link
	Link in chain. More...

Public Types
using	RotationSetType = std::vector< Stereopermutation >

Public Member Functions
	RotationEnumerator (Stereopermutation initial, Shapes::Shape s)
	Sets the initial state.
boost::optional< const Stereopermutation & >	next ()
	Generates a new rotation or None if all rotations have been discovered. More...
const RotationSetType &	all ()
	Yields set of all rotations. More...

Private Member Functions
bool	incrementable () const
void	increment ()

Private Attributes
Shapes::Shape	shape
unsigned	linkLimit
std::vector< Link >	chain
RotationSetType	rotations

Detailed Description

Enumerate rotations of stereopermutations in shapes.

Construction of class creates the first stereopermutation, repeated calls to next generate successive rotations.

Idea behind the algorithm and data structure is that starting from any structure, we apply a rotation. If the result is new, we add it as a link in a chain of structures. If the result has already been discovered, we try again, but with a different rotation.

Having written that down, it's probably not too difficult to rewrite this into a recursive solution. This is more of a backtracking algorithm.

Member Function Documentation

const RotationSetType& Scine::Molassembler::Stereopermutations::RotationEnumerator::all

(

)

Yields set of all rotations.

This is just an accessor if all rotations have already been enumerated with next, otherwise it first generates all rotations.

boost::optional<const Stereopermutation&> Scine::Molassembler::Stereopermutations::RotationEnumerator::next

(

)

Generates a new rotation or None if all rotations have been discovered.

For pattern while(auto stereopermutationOption = enumerator.next())

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

• Molassembler/Stereopermutation/RotationEnumerator.h