topology_limits.h

// -*-c++-*-
#ifndef STORMM_TOPOLOGY_LIMITS_H
#define STORMM_TOPOLOGY_LIMITS_H
 
#include "copyright.h"
 
namespace stormm {
namespace topology {

void atomValidityCheck(int index, int max_atoms, const char* class_caller = nullptr,
                       const char* method_caller = nullptr);

void atomValidityCheck(int low_index, int high_index, int max_atoms,
                       const char* class_caller = nullptr, const char* method_caller = nullptr);

void residueValidityCheck(int index, int max_residues, const char* class_caller = nullptr,
                          const char* method_caller = nullptr);

void residueValidityCheck(int low_index, int high_index, int max_residues,
                          const char* class_caller = nullptr, const char* method_caller = nullptr);
 

void moleculeValidityCheck(int index, int max_molecules, const char* class_caller = nullptr,
                           const char* method_caller = nullptr);

void moleculeValidityCheck(int low_index, int high_index, int max_molecules,
                           const char* class_caller = nullptr,
                           const char* method_caller = nullptr);

void affectorBoundsContribution(int item_count, const int* atoms_from_the_item, int *bounds_ptr,
                                const uint* relevance = nullptr);

void affectorListAssembly(int item_count, const int* atoms_from_the_item, int *bounds_ptr,
                          int* list_ptr, const uint* relevance = nullptr);

void markAffectorAtoms(std::vector<int> *affector_bounds, std::vector<int> *affector_list,
                       int item_count, const int* i_atoms, const int* j_atoms = nullptr,
                       const int* k_atoms = nullptr, const int* l_atoms = nullptr,
                       const int* m_atoms = nullptr, const uint* relevance = nullptr);
 
} // namespace topology
} // namespace stormm
 
#endif