Program Listing for File computemesh.hpp

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#ifndef __computemesh_hpp__
#define __computemesh_hpp__

#include <memory>
#include <map>

#include "../types/globaltypes.hpp"
#include "../types/pymembvector.hpp"

class SystemClass; // forward declaration
class EvolverClass;

class ComputeMesh
{
public:
    ComputeMesh(SystemClass &system) : _system(system) {}

    void compute_vertex_normals(bool vertex_normal_angle_weight = false);

    void compute_face_normals(void);

    pymemb::vector<real> compute_edge_lengths(void);

    real gaussiancurvature_vertex(const int &vertex_index);

    real meancurvature_vertex(const int &vertex_index);
    pymemb::vector<real> gaussiancurvature(void);

    pymemb::vector<real> meancurvature(void);

    std::map<std::string, pymemb::vector<real>> compute_mesh_curvature(void);
    pymemb::vector<pymemb::vector<real>> compute_face_metric(void);

    real compute_mesh_volume(void);

    pymemb::vector<real> compute_face_area(void);

    real compute_mesh_area(void);

    pymemb::vector<real> compute_vertex_area(void);


    std::map<std::string, real> compute_mesh_energy(EvolverClass &);

    pymemb::vector<real3> compute_vertex_forces(EvolverClass &);


    realTensor compute_stresses(EvolverClass &, const bool &);

    realTensor get_stresses(EvolverClass &, const bool &);

    std::vector<real> compute_pressure(EvolverClass &);

    realTensor compute_kinetic_energy_tensor(void);
    real compute_kinetic_energy(void);

    real compute_temperature(void);

    realTensor compute_stresses_virial(EvolverClass &evolver, const bool &computeForAllAtoms);

    std::vector<realTensor> compute_stresses_atom(EvolverClass &evolver, const bool &computeForAllAtoms);

private:
    SystemClass &_system;
};

#endif