EnergyComponents.h

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/*-------------------------------------------------------------------
Copyright 2011 Ravishankar Sundararaman

This file is part of JDFTx.

JDFTx 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.

JDFTx 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 JDFTx.  If not, see <http://www.gnu.org/licenses/>.
-------------------------------------------------------------------*/

#ifndef JDFTX_CORE_ENERGYCOMPONENTS_H
#define JDFTX_CORE_ENERGYCOMPONENTS_H


#include <map>
#include <string>
#include <core/string.h>
#include <cstdio>

class EnergyComponents : public std::map<string,double>
{
public:
        double& operator[](const char* key) { return std::map<string,double>::operator[](string(key)); }
        double& operator[](const string& key) { return std::map<string,double>::operator[](key); }
        
        //const versions of above
        double operator[](const char* key) const { auto iter = find(string(key)); return iter==end() ? 0. : iter->second; }
        double operator[](const string& key) const { auto iter = find(key); return iter==end() ? 0. : iter->second; }
        
        void operator=(const double& value)
        {       clear(); //remove all named components
                (*this)["default"] = value; //set the value to a default channel
        }

        void operator+=(const double& value)
        {       (*this)["default"] += value; //accumulate to the default channel
        }

        // Allows using templated CG without modification!
        operator double() const
        {       double ret=0.0;
                for(const_iterator i=begin(); i!=end(); i++)
                {       ret += i->second;
                }
                return ret;
        }

        void print(FILE* fp, bool nonzeroOnly, const char* format="\t%s = %le\n") const
        {       
                std::map<string,double> reducedComponents;
                for(auto entry: *this)
                        if((not nonzeroOnly) or (entry.second != 0))
                                reducedComponents[entry.first.substr(0, entry.first.find_last_not_of("0123456789-")+1)] += entry.second;
                for(auto entry: reducedComponents)
                        fprintf(fp, format, entry.first.c_str(), entry.second);
        }
};

#endif //JDFTX_CORE_ENERGYCOMPONENTS_H