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lammps/tools/pymol_asphere/src/miscm.h
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/***************************************************************************
miscm.h
-------------------
W. Michael Brown
Miscellaneous functions that do not deserve their own class
__________________________________________________________________________
This file is part of the Math Library
__________________________________________________________________________
begin : May 30 2003
copyright : (C) 2003 by W. Michael Brown
email : wmbrown@sandia.gov
***************************************************************************/
#ifndef MISCM_H
#define MISCM_H
#include <float.h>
#include <math.h>
#include <vector>
#include "error.h"
using namespace std;
/// Miscellaneous functions that do not deserve their own class
/** \e a contains functions for \n
* - simple math functions
* - finite precision stuff */
namespace am {
/// Returns the square of a number
double square(double);
/// Rounds a number
double round(double);
/// Return the range of elements in a vector (0 if empty)
double range(const vector<double> &v);
/// Return the average of elements in a vector (0 if empty)
double mean(const vector<double> &v);
/// Return the max of two objects
template <class numtyp>
numtyp max(numtyp one,numtyp two);
/// Return the min of two objects
template <class numtyp>
numtyp min(numtyp one,numtyp two);
/// Return the -1 for negative, 0 for zero, and 1 for positive
int sign(double v);
/// Swap two objects
void swap(double a, double b);
// Finite Precision stuff
/// Returns a number representing zero for finite checks
double epsilon(double number);
/// Returns number closer to zero by the smallest interval possible
double minus_eps(double number);
/// Returns number farther from zero by the smallest interval possible
double plus_eps(double number);
/// Returns number farther from zero by smallest interval * \b m
double plus_Meps(double m,double number);
/// Returns number farther from zero by smallest interval * 10^8
double plus_2eps(double number);
/// Returns number closer to zero by smallest interval * 10^8
double minus_2eps(double number);
/// Returns false if the number is stored as NAN
bool not_nan(double number);
// Matrix stuff
/// Invert a matrix (Gauss-Jordan)
/** Generates error 303 L 9 for singular matrix
* No checking for memory limitations **/
void invert(double **matrix, unsigned size, Error &error);
/// Move a value from a fraction of one range to a fraction of another
/** am::rerange(0,1,0.3,0,100) will return 30. No checking to enforce
* that the value actually lies within the range is made. **/
double rerange(double one_start, double one_end, double value,
double two_start, double two_end);
}
#endif
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