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lammps/src/region.h
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region.h
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/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifndef LMP_REGION_H
#define LMP_REGION_H
#include "pointers.h"
namespace LAMMPS_NS {
class Region : protected Pointers {
public:
char *id,*style;
int interior; // 1 for interior, 0 for exterior
int scaleflag; // 1 for lattice, 0 for box
double xscale,yscale,zscale; // scale factors for box/lattice units
double extent_xlo,extent_xhi; // bounding box on region
double extent_ylo,extent_yhi;
double extent_zlo,extent_zhi;
int bboxflag; // 1 if bounding box is computable
// contact = particle near region surface
struct Contact {
double r; // distance between particle & surf, r > 0.0
double delx,dely,delz; // vector from surface pt to particle
};
Contact *contact; // list of contacts
int cmax; // max # of contacts possible with region
Region(class LAMMPS *, int, char **);
virtual ~Region();
void init();
virtual int dynamic_check();
int match(double, double, double);
int surface(double, double, double, double);
virtual int inside(double, double, double) = 0;
virtual int surface_interior(double *, double) = 0;
virtual int surface_exterior(double *, double) = 0;
protected:
void options(int, char **);
void add_contact(int, double *, double, double, double);
private:
int time_origin;
double dt,period,omega_rotate;
double vx,vy,vz;
double ax,ay,az;
double point[3],axis[3],runit[3];
int dynamic; // 1 if region changes over time
void rotate(double &, double &, double &, double);
};
}
#endif
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