116 lines
3.8 KiB
C++
116 lines
3.8 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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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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#include "region_plane.h"
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#include "error.h"
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#include <cmath>
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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RegPlane::RegPlane(LAMMPS *lmp, int narg, char **arg) : Region(lmp, narg, arg)
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{
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options(narg - 8, &arg[8]);
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xp = xscale * utils::numeric(FLERR, arg[2], false, lmp);
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yp = yscale * utils::numeric(FLERR, arg[3], false, lmp);
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zp = zscale * utils::numeric(FLERR, arg[4], false, lmp);
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normal[0] = xscale * utils::numeric(FLERR, arg[5], false, lmp);
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normal[1] = yscale * utils::numeric(FLERR, arg[6], false, lmp);
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normal[2] = zscale * utils::numeric(FLERR, arg[7], false, lmp);
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// enforce unit normal
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double rsq = normal[0] * normal[0] + normal[1] * normal[1] + normal[2] * normal[2];
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if (rsq == 0.0)
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error->all(FLERR, "Illegal region plane normal vector: {} {} {}", normal[0], normal[1],
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normal[2]);
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normal[0] /= sqrt(rsq);
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normal[1] /= sqrt(rsq);
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normal[2] /= sqrt(rsq);
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// plane has no bounding box
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bboxflag = 0;
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cmax = 1;
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contact = new Contact[cmax];
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tmax = 1;
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}
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/* ---------------------------------------------------------------------- */
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RegPlane::~RegPlane()
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{
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delete[] contact;
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}
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/* ----------------------------------------------------------------------
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inside = 1 if x,y,z is on normal side of plane or on plane
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inside = 0 if x,y,z is on non-normal side of plane and not on plane
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x,y,z is inside if (x-xp) dot normal >= 0
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------------------------------------------------------------------------- */
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int RegPlane::inside(double x, double y, double z)
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{
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double dot = (x - xp) * normal[0] + (y - yp) * normal[1] + (z - zp) * normal[2];
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if (dot >= 0.0) return 1;
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return 0;
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}
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/* ----------------------------------------------------------------------
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one contact if 0 <= x < cutoff from normal side of plane
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no contact if on other side (possible if called from union/intersect)
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delxyz = vector from nearest projected point on plane to x
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------------------------------------------------------------------------- */
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int RegPlane::surface_interior(double *x, double cutoff)
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{
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double dot = (x[0] - xp) * normal[0] + (x[1] - yp) * normal[1] + (x[2] - zp) * normal[2];
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if (dot < cutoff && dot >= 0.0) {
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contact[0].r = dot;
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contact[0].delx = dot * normal[0];
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contact[0].dely = dot * normal[1];
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contact[0].delz = dot * normal[2];
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contact[0].radius = 0;
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contact[0].iwall = 0;
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return 1;
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}
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return 0;
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}
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/* ----------------------------------------------------------------------
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one contact if 0 <= x < cutoff from non-normal side of plane
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no contact if on other side (possible if called from union/intersect)
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delxyz = vector from nearest projected point on plane to x
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------------------------------------------------------------------------- */
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int RegPlane::surface_exterior(double *x, double cutoff)
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{
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double dot = (x[0] - xp) * normal[0] + (x[1] - yp) * normal[1] + (x[2] - zp) * normal[2];
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dot = -dot;
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if (dot < cutoff && dot >= 0.0) {
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contact[0].r = dot;
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contact[0].delx = -dot * normal[0];
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contact[0].dely = -dot * normal[1];
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contact[0].delz = -dot * normal[2];
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contact[0].radius = 0;
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contact[0].iwall = 0;
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return 1;
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}
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return 0;
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}
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