SymFncBaseComp.h

Go to the documentation of this file.

// n2p2 - A neural network potential package
// Copyright (C) 2018 Andreas Singraber (University of Vienna)
// Copyright (C) 2020 Martin P. Bircher
//
// This program is free software: you can redistribute it and/or modify
// it under the terms of the GNU General Public License as published by
// the Free Software Foundation, either version 3 of the License, or
// (at your option) any later version.
//
// This program is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
// GNU General Public License for more details.
//
// You should have received a copy of the GNU General Public License
// along with this program.  If not, see <https://www.gnu.org/licenses/>.
 
#ifndef SYMFNCBASECOMP_H
#define SYMFNCBASECOMP_H
 
#include "SymFnc.h"
#include "CompactFunction.h"
#include <cstddef> // std::size_t
#include <string>  // std::string
#include <vector>  // std::vector
 
namespace nnp
{
 
class SymFncBaseComp : public SymFnc
{
public:
    virtual
    std::vector<std::string> parameterInfo() const;
    void                     setCompactFunction(std::string subtype);
    std::string              getSubtype() const;
    double                   getRl() const;
 
protected:
    bool            asymmetric;
    double          rl;
    std::string     subtype;
    CompactFunction cr;
 
    SymFncBaseComp(std::size_t type, ElementMap const&);
};
 
// Inlined function definitions //
 
inline std::string SymFncBaseComp::getSubtype() const { return subtype; }
inline double SymFncBaseComp::getRl() const { return rl; }
 
}
 
#endif