8 #ifndef INCLUDE_MOLASSEMBLER_STEREOPERMUTATIONS_ROTATION_ENUMERATOR_H
9 #define INCLUDE_MOLASSEMBLER_STEREOPERMUTATIONS_ROTATION_ENUMERATOR_H
13 #include <unordered_set>
16 namespace Molassembler {
17 namespace Stereopermutations {
34 using RotationSetType = std::vector<Stereopermutation>;
43 boost::optional<const Stereopermutation&> next();
50 const RotationSetType& all();
53 bool incrementable()
const;
58 unsigned rotationIndex;
66 std::vector<Link> chain;
Link in chain.
Definition: RotationEnumerator.h:57
Represent abstract stereopermutation around atom center.
Definition: Stereopermutation.h:36
Base class to describe substituent arrangements in shapes.
ShapeResult shape(const PositionCollection &normalizedPositions, Shape shape)
Forwarding function to calculate the continuous shape measure.
Enumerate rotations of stereopermutations in shapes.
Definition: RotationEnumerator.h:32
const RotationsList & rotations(Shape shape)
Fetches a shape's list of rotations.
Shape
Enumeration of all contained symmetry names.
Definition: Shapes.h:28