kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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KIM_ChargeUnit.hpp
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1//
2// KIM-API: An API for interatomic models
3// Copyright (c) 2013--2022, Regents of the University of Minnesota.
4// All rights reserved.
5//
6// Contributors:
7// Ryan S. Elliott
8//
9// SPDX-License-Identifier: LGPL-2.1-or-later
10//
11// This library is free software; you can redistribute it and/or
12// modify it under the terms of the GNU Lesser General Public
13// License as published by the Free Software Foundation; either
14// version 2.1 of the License, or (at your option) any later version.
15//
16// This library is distributed in the hope that it will be useful,
17// but WITHOUT ANY WARRANTY; without even the implied warranty of
18// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
19// Lesser General Public License for more details.
20//
21// You should have received a copy of the GNU Lesser General Public License
22// along with this library; if not, write to the Free Software Foundation,
23// Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
24//
25
26//
27// Release: This file is part of the kim-api-2.3.0 package.
28//
29
30
31#ifndef KIM_CHARGE_UNIT_HPP_
32#define KIM_CHARGE_UNIT_HPP_
33
34#include <string>
35
36namespace KIM
37{
47{
48 public:
59
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
124namespace CHARGE_UNIT
125{
131extern ChargeUnit const unused;
132
138extern ChargeUnit const C;
139
145extern ChargeUnit const e;
146
152extern ChargeUnit const statC;
153
154
164void GetNumberOfChargeUnits(int * const numberOfChargeUnits);
165
180int 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_
An Extensible Enumeration for the ChargeUnit's supported by the KIM API.
bool operator==(ChargeUnit const &rhs) const
Compares ChargeUnit objects for equality.
ChargeUnit(std::string const &str)
Create a ChargeUnit object corresponding to the provided string. If the string does not match one of ...
std::string const & ToString() const
Converts the object to a string.
bool operator!=(ChargeUnit const &rhs) const
Compares ChargeUnit objects for inequality.
int chargeUnitID
Integer identifying the specific ChargeUnit represented.
ChargeUnit(int const id)
Create a ChargeUnit object with the specified id.
bool Known() const
Determines if the object is a quantity known to the KIM API.
ChargeUnit()
Create an uninitialized ChargeUnit object.
ChargeUnit const C
The standard Coulomb unit of charge.
ChargeUnit const e
The standard electron unit of charge.
ChargeUnit const unused
Indicates that a ChargeUnit is not used.
ChargeUnit const statC
The standard statcoulomb unit of charge.
int GetChargeUnit(int const index, ChargeUnit *const chargeUnit)
Get the identity of each defined standard ChargeUnit.
void GetNumberOfChargeUnits(int *const numberOfChargeUnits)
Get the number of standard ChargeUnit's defined by the KIM API.
Structure provided for use with std::map.
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 ...