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lammps/tools/pymol_asphere/src/spherical.h
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spherical.h
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/***************************************************************************
spherical.h
W. Michael Brown
-------------------
Stuff for working spherical coordinates
__________________________________________________________________________
Part of the Math Library
__________________________________________________________________________
begin : Tue Aug 29 2006
copyright : (C) 2006 by W. Michael Brown
email : wmbrown@sandia.gov
***************************************************************************/
#ifndef SPHERICAL_H
#define SPHERICAL_H
#include "miscm.h"
#include "m_constants.h"
#include "cartesian.h"
#include <assert.h>
#include <math.h>
#include <iostream>
#include <fstream>
using namespace std;
// Other coordinates
template<class numtyp> class ThreeD;
// Friends
template<class numtyp> class Ball;
template<class numtyp>
ostream & operator<< (ostream &out, const Ball<numtyp> &t);
template<class numtyp>
istream & operator>> (istream &in, Ball<numtyp> &t);
enum { THETA, ///<0
PHI ///<1
};
/// Two dimensional spherical coordinates on a unit sphere
/** The elements can be accessed directly .theta or .phi
* or by using the operator [] ( [THETA], [PHI] )
*
* Input and output are overloaded for element I/O of the form "theta phi"
* <<, >>
**/
template<class numtyp>
class Ball {
public:
/// Empty construct. Not necessarily initialized to [0 0]
Ball();
/// Assignment Constructor
Ball(numtyp theta, numtyp phi);
/// Assign theta and phi to the value
Ball(numtyp value);
/// Convert from cartesian
Ball(const ThreeD<numtyp> &pt);
numtyp theta;
numtyp phi;
numtyp &operator[](unsigned i);
friend ostream & operator<< <>(ostream &out, const Ball &t);
friend istream & operator>> <>(istream &in, Ball &t);
/// Add both angles
void operator += (const Ball<numtyp> &two);
/// Add to both angles
Ball<numtyp> operator + (const numtyp two) const;
/// Multiply both angles
Ball<numtyp> operator * (const numtyp two) const;
/// Divide both angles
void operator /= (const numtyp two);
/// Add both angles
Ball<numtyp> operator + (const Ball<numtyp> &two);
/// Distance between two points (along arc)
/** \note The form of calculation used suffers from round off error
* when points are antipodal **/
numtyp dist(const Ball &two) const;
/// Distance squared between two points (along arc)
/** \note The form of calculation used suffers from round off error
* when points are antipodal **/
numtyp dist2(const Ball &two) const;
/// Move coordinates into array
void to_array(numtyp *array);
/// Set coordinates from array
void from_array(numtyp *array);
// -------------- Weird functions that help with coord templating
/// Returns 2
unsigned dimensionality();
// Returns true
bool check_bounds(numtyp min,numtyp max);
private:
};
///\var typedef Ball<double> BallD
/// Double unit sphere
typedef Ball<double> BallD;
///\var typedef Ball<double> BallF
/// Float unit sphere
typedef Ball<float> BallF;
#endif
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