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// -*- c++ -*-
// This file is part of the Collective Variables module (Colvars).
// The original version of Colvars and its updates are located at:
// https://github.com/colvars/colvars
// Please update all Colvars source files before making any changes.
// If you wish to distribute your changes, please submit them to the
// Colvars repository at GitHub.
#ifndef COLVARBIAS_HISTOGRAM_H
#define COLVARBIAS_HISTOGRAM_H
#include <vector>
#include <list>
#include <sstream>
#include <iomanip>
#include "colvarbias.h"
#include "colvargrid.h"
/// Histogram "bias" (does as the name says)
class colvarbias_histogram : public colvarbias {
public:
colvarbias_histogram(char const *key);
~colvarbias_histogram();
virtual int init(std::string const &conf);
virtual int update();
virtual int write_output_files();
protected:
/// n-dim histogram
colvar_grid_scalar *grid;
std::vector<int> bin;
std::string out_name, out_name_dx;
size_t output_freq;
/// If one or more of the variables are \link type_vector \endlink, treat them as arrays of this length
size_t colvar_array_size;
/// If colvar_array_size is larger than 1, weigh each one by this number before accumulating the histogram
std::vector<cvm::real> weights;
virtual std::istream & read_state_data(std::istream &is);
virtual std::ostream & write_state_data(std::ostream &os);
};
#endif
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