kim-api  2.3.0+v2.3.0.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
KIM_ChargeUnit.hpp
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2 // KIM-API: An API for interatomic models
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7 // Ryan S. Elliott
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29 
30 
31 #ifndef KIM_CHARGE_UNIT_HPP_
32 #define KIM_CHARGE_UNIT_HPP_
33 
34 #include <string>
35 
36 namespace KIM
37 {
47 {
48  public:
59 
63  ChargeUnit();
64 
70  ChargeUnit(int const id);
71 
79  ChargeUnit(std::string const & str);
80 
89  bool Known() const;
90 
98  bool operator==(ChargeUnit const & rhs) const;
99 
107  bool operator!=(ChargeUnit const & rhs) const;
108 
119  std::string const & ToString() const;
120 }; // class ChargeUnit
121 
124 namespace CHARGE_UNIT
125 {
131 extern ChargeUnit const unused;
132 
138 extern ChargeUnit const C;
139 
145 extern ChargeUnit const e;
146 
152 extern ChargeUnit const statC;
153 
154 
164 void GetNumberOfChargeUnits(int * const numberOfChargeUnits);
165 
180 int GetChargeUnit(int const index, ChargeUnit * const chargeUnit);
181 
186 {
191  bool operator()(ChargeUnit const & a, ChargeUnit const & b) const
192  {
193  return a.chargeUnitID < b.chargeUnitID;
194  }
195 }; // struct Comparator
196 } // namespace CHARGE_UNIT
197 } // namespace KIM
198 
199 #endif // KIM_CHARGE_UNIT_HPP_
bool operator==(ChargeUnit const &rhs) const
Compares ChargeUnit objects for equality.
bool Known() const
Determines if the object is a quantity known to the KIM API.
ChargeUnit const unused
Indicates that a ChargeUnit is not used.
ChargeUnit()
Create an uninitialized ChargeUnit object.
ChargeUnit const e
The standard electron unit of charge.
Structure provided for use with std::map.
ChargeUnit const statC
The standard statcoulomb unit of charge.
ChargeUnit const C
The standard Coulomb unit of charge.
bool operator!=(ChargeUnit const &rhs) const
Compares ChargeUnit objects for inequality.
std::string const & ToString() const
Converts the object to a string.
int chargeUnitID
Integer identifying the specific ChargeUnit represented.
bool operator()(ChargeUnit const &a, ChargeUnit const &b) const
Provides an (logically unmeaningful) ordering for ChargeUnit objects so that they can be stored in a ...
An Extensible Enumeration for the ChargeUnit&#39;s supported by the KIM API.
void GetNumberOfChargeUnits(int *const numberOfChargeUnits)
Get the number of standard ChargeUnit&#39;s defined by the KIM API.
int GetChargeUnit(int const index, ChargeUnit *const chargeUnit)
Get the identity of each defined standard ChargeUnit.