kim-api  2.1.4-git+v2.1.3-git-3-g4c859c7f.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
KIM_ComputeArgumentName.hpp
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33 
34 #ifndef KIM_COMPUTE_ARGUMENT_NAME_HPP_
35 #define KIM_COMPUTE_ARGUMENT_NAME_HPP_
36 
37 #include <string>
38 
39 namespace KIM
40 {
41 // Forward declaration
42 class DataType;
43 
55 {
56  public:
68 
73 
79  ComputeArgumentName(int const id);
80 
89  ComputeArgumentName(std::string const & str);
90 
100  bool Known() const;
101 
110  bool operator==(ComputeArgumentName const & rhs) const;
111 
120  bool operator!=(ComputeArgumentName const & rhs) const;
121 
133  std::string const & ToString() const;
134 }; // class ComputeArgumentName
135 
139 namespace COMPUTE_ARGUMENT_NAME
140 {
151 
162 
173 
182 extern ComputeArgumentName const coordinates;
183 
193 
203 
214 
224 
235 
236 
247 void GetNumberOfComputeArgumentNames(int * const numberOfComputeArgumentNames);
248 
264 int GetComputeArgumentName(int const index,
265  ComputeArgumentName * const computeArgumentName);
266 
279 int GetComputeArgumentDataType(ComputeArgumentName const computeArgumentName,
280  DataType * const dataType);
281 
286 {
292  ComputeArgumentName const & b) const
293  {
295  }
296 }; // struct Comparator
297 } // namespace COMPUTE_ARGUMENT_NAME
298 } // namespace KIM
299 
300 #endif // KIM_COMPUTE_ARGUMENT_NAME_HPP_
ComputeArgumentName const partialParticleEnergy
The standard partialParticleEnergy argument.
Structure provided for use with std::map.
bool operator==(ComputeArgumentName const &rhs) const
Compares ComputeArgumentName objects for equality.
ComputeArgumentName const coordinates
The standard coordinates argument.
int computeArgumentNameID
Integer identifying the specific ComputeArgumentName represented.
ComputeArgumentName const partialVirial
The standard partialVirial argument.
void GetNumberOfComputeArgumentNames(int *const numberOfComputeArgumentNames)
Get the number of standard ComputeArgumentName&#39;s defined by the KIM API.
An Extensible Enumeration for the DataType&#39;s supported by the KIM API.
ComputeArgumentName const particleContributing
The standard particleContributing argument.
ComputeArgumentName const partialEnergy
The standard partialEnergy argument.
bool operator!=(ComputeArgumentName const &rhs) const
Compares ComputeArgumentName objects for inequality.
ComputeArgumentName const partialParticleVirial
The standard partialParticleVirial argument.
ComputeArgumentName const partialForces
The standard partialForces argument.
An Extensible Enumeration for the ComputeArgumentName&#39;s supported by the KIM API. ...
ComputeArgumentName()
Create an uninitialized ComputeArgumentName object.
bool operator()(ComputeArgumentName const &a, ComputeArgumentName const &b) const
Provides an (logically unmeaningful) ordering for ComputeArgumentsName objects so that they can be st...
ComputeArgumentName const particleSpeciesCodes
The standard particleSpeciesCodes argument.
ComputeArgumentName const numberOfParticles
The standard numberOfParticles argument.
std::string const & ToString() const
Converts the object to a string.
int GetComputeArgumentDataType(ComputeArgumentName const computeArgumentName, DataType *const dataType)
Get the DataType of each defined standard ComputeArgumentName.
int GetComputeArgumentName(int const index, ComputeArgumentName *const computeArgumentName)
Get the identity of each defined standard ComputeArgumentName.
bool Known() const
Determines if the object is a quantity known to the KIM API.