structure_enumerators.h

// -*-c++-*-
#ifndef STORMM_STRUCTURE_ENUMERATORS_H
#define STORMM_STRUCTURE_ENUMERATORS_H
 
#include <string>
#include "copyright.h"
 
namespace stormm {
namespace structure {
  
enum class ImagingMethod {
  PRIMARY_UNIT_CELL,  
  MINIMUM_IMAGE,      
};

enum class RMSDMethod {
  ALIGN_MASS,     
  ALIGN_GEOM,     
  NO_ALIGN_MASS,  
  NO_ALIGN_GEOM   
};

enum class RMSDAlignmentProtocol {
  BUILD_CORE,  
  ALIGN_CORE,  
  ALIGN_ALL    
};

enum class RMSDTask {
  REFERENCE,  
  MATRIX      
};

enum class VirtualSiteActivity {
  PLACEMENT,       
  TRANSMIT_FORCES  
};

enum class GridDetail {
  OCCLUSION,        
  OCCLUSION_FIELD,  
  NONBONDED_FIELD,  
  NONBONDED_ATOMIC  
};

enum class MappingActivity {
  PARTICLE_TO_MESH,  
  MESH_TO_PARTICLE   
};
  
enum class ClashKind {
  VAN_DER_WAALS,  
  PURE_DISTANCE   
};

enum class OffMeshProtocol {
  DIE,          
  EXTRAPOLATE,  
  ZERO          
};

enum class SamplingIntensity {
  MINIMAL,    
  LIGHT,      
  HEAVY,      
  EXHAUSTIVE  
};

enum class BoundaryCondition {
  ISOLATED,  
  PERIODIC   
};

enum class MeshPosition {
  MOLECULE,  
  ORIGIN,    
  ARBITRARY  
};

enum class RattleMethod {
  SEQUENTIAL,   
  CENTER_SUM,   
#if 0
  SEQ_UNITARY,  
  CNS_UNITARY   
#endif
};

enum class ApplyConstraints {
  YES,  
  NO    
};

std::string getEnumerationName(ImagingMethod input);
std::string getEnumerationName(RMSDMethod input);
std::string getEnumerationName(RMSDAlignmentProtocol input);
std::string getEnumerationName(RMSDTask input);
std::string getEnumerationName(VirtualSiteActivity input);
std::string getEnumerationName(GridDetail input);
std::string getEnumerationName(MappingActivity input);
std::string getEnumerationName(ClashKind input);
std::string getEnumerationName(OffMeshProtocol input);
std::string getEnumerationName(SamplingIntensity input);
std::string getEnumerationName(BoundaryCondition input);
std::string getEnumerationName(MeshPosition input);
std::string getEnumerationName(RattleMethod input);
std::string getEnumerationName(ApplyConstraints input);

RMSDMethod translateRMSDMethod(const std::string &input);
  
GridDetail translateGridDetail(const std::string &input);
  
SamplingIntensity translateSamplingIntensity(const std::string &input);

BoundaryCondition translateBoundaryCondition(const std::string &input);

MeshPosition translateMeshPosition(const std::string &input);

RattleMethod translateRattleMethod(const std::string &input);

ApplyConstraints translateApplyConstraints(const std::string &input);
 
} // namespace structure
} // namespace stormm
 
#endif