Files
lammps/unittest/force-styles/error_stats.cpp

61 lines
1.6 KiB
C++

/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "error_stats.h"
#include <iostream>
#include <string>
#include <cmath>
void ErrorStats::reset() {
num = 0;
maxidx = -1;
sum = sumsq = maxerr =0.0;
}
void ErrorStats::add(const double &val) {
++num;
if (val > maxerr) {
maxidx = num;
maxerr = val;
}
sum += val;
sumsq += val*val;
}
double ErrorStats::avg() const {
return (num > 0) ? sum/num : 0.0;
}
double ErrorStats::dev() const {
return (num > 0) ? sqrt(sumsq/num - sum/num*sum/num) : 0.0;
}
std::ostream &operator<<(std::ostream &out, const ErrorStats &stats)
{
const std::ios_base::fmtflags flags = out.flags();
const std::streamsize width = out.width(10);
const std::streamsize prec = out.precision(3);
out << std::scientific
<< "Average: " << stats.avg()
<< " StdDev: " << stats.dev()
<< " MaxErr: " << stats.max();
out.precision(prec);
out.width(width);
out.flags(flags);
return out << " @ item: " << stats.idx();
}