Data.h

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#ifndef INCLUDE_MOLASSEMBLER_SHAPES_DATA_H
#define INCLUDE_MOLASSEMBLER_SHAPES_DATA_H

#include "boost/optional/optional_fwd.hpp"
#include "Eigen/Core"

#include "Molassembler/Shapes/Shapes.h"
#include "Molassembler/Shapes/PointGroups.h"
#include "Molassembler/Temple/StrongIndex.h"
#include "Molassembler/Temple/Preprocessor.h"

#include <vector>

namespace Scine {
namespace Molassembler {
namespace Shapes {

struct vertex_index_tag;
using Vertex = Temple::StrongIndex<vertex_index_tag, unsigned>;

using Permutation = std::vector<Vertex>;

/* Typedefs */
using RotationsList = std::vector<Permutation>;

using AngleFunction = std::function<
  double(const Vertex, const Vertex)
>;

using Tetrahedron = std::array<boost::optional<Vertex>, 4>;

using TetrahedronList = std::vector<Tetrahedron>;

using Coordinates = Eigen::Matrix<double, 3, Eigen::Dynamic>;

namespace Detail {
template<size_t ... Inds>
constexpr auto makeAllShapes(std::index_sequence<Inds...> /* seq */) {
  return std::array<Shape, nShapes> {{ static_cast<Shape>(Inds)... }};
}
} // namespace Detail

constexpr std::array<Shape, nShapes> allShapes = Detail::makeAllShapes(
  std::make_index_sequence<nShapes>()
);

/* Interface */
MASM_EXPORT const std::string& name(const Shape shape);

MASM_EXPORT Shape nameFromString(const std::string& shapeNameString);

MASM_EXPORT std::string spaceFreeName(Shape shape);

MASM_EXPORT unsigned size(const Shape shape);

MASM_EXPORT const RotationsList& rotations(const Shape shape);

MASM_EXPORT const Permutation& mirror(const Shape shape);

MASM_EXPORT AngleFunction angleFunction(const Shape shape);

MASM_EXPORT Coordinates coordinates(const Shape shape);

MASM_EXPORT PointGroup pointGroup(const Shape shape);

MASM_EXPORT unsigned nameIndex(Shape shape);

MASM_EXPORT const TetrahedronList& tetrahedra(const Shape shape);

MASM_EXPORT bool threeDimensional(const Shape shape);

} // namespace Shapes
} // namespace Molassembler
} // namespace Scine

#endif