forked from lijiext/lammps
73 lines
2.3 KiB
C++
73 lines
2.3 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef LMP_REGION_H
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#define LMP_REGION_H
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#include "pointers.h"
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namespace LAMMPS_NS {
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class Region : protected Pointers {
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public:
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char *id,*style;
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int interior; // 1 for interior, 0 for exterior
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int scaleflag; // 1 for lattice, 0 for box
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double xscale,yscale,zscale; // scale factors for box/lattice units
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double extent_xlo,extent_xhi; // bounding box on region
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double extent_ylo,extent_yhi;
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double extent_zlo,extent_zhi;
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int bboxflag; // 1 if bounding box is computable
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// contact = particle near region surface
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struct Contact {
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double r; // distance between particle & surf, r > 0.0
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double delx,dely,delz; // vector from surface pt to particle
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};
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Contact *contact; // list of contacts
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int cmax; // max # of contacts possible with region
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Region(class LAMMPS *, int, char **);
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virtual ~Region();
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void init();
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virtual int dynamic_check();
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int match(double, double, double);
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int surface(double, double, double, double);
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virtual int inside(double, double, double) = 0;
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virtual int surface_interior(double *, double) = 0;
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virtual int surface_exterior(double *, double) = 0;
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protected:
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void add_contact(int, double *, double, double, double);
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void options(int, char **);
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private:
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int dynamic; // 1 if region changes over time
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int moveflag,rotateflag;
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double point[3],axis[3],runit[3];
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char *xstr,*ystr,*zstr,*tstr;
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int xvar,yvar,zvar,tvar;
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double dx,dy,dz,theta;
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bigint laststep;
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void forward_transform(double &, double &, double &);
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void inverse_transform(double &, double &, double &);
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void rotate(double &, double &, double &, double);
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};
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}
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#endif
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