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