// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, 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. ------------------------------------------------------------------------- */ #include "region_intersect.h" #include "domain.h" #include "error.h" #include using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ RegIntersect::RegIntersect(LAMMPS *lmp, int narg, char **arg) : Region(lmp, narg, arg), idsub(nullptr) { nregion = 0; if (narg < 5) error->all(FLERR,"Illegal region command"); int n = utils::inumeric(FLERR,arg[2],false,lmp); if (n < 2) error->all(FLERR,"Illegal region command"); options(narg-(n+3),&arg[n+3]); // build list of regions to intersect // store sub-region IDs in idsub idsub = new char*[n]; list = new int[n]; nregion = 0; for (int iarg = 0; iarg < n; iarg++) { idsub[nregion] = utils::strdup(arg[iarg+3]); int iregion = domain->find_region(idsub[nregion]); if (iregion == -1) error->all(FLERR,"Region intersect region ID does not exist"); list[nregion++] = iregion; } // this region is variable shape or dynamic if any of sub-regions are Region **regions = domain->regions; for (int ilist = 0; ilist < nregion; ilist++) { if (regions[list[ilist]]->varshape) varshape = 1; if (regions[list[ilist]]->dynamic) dynamic = 1; } // extent of intersection of regions // has bounding box if interior and any sub-region has bounding box bboxflag = 0; for (int ilist = 0; ilist < nregion; ilist++) if (regions[list[ilist]]->bboxflag == 1) bboxflag = 1; if (!interior) bboxflag = 0; if (bboxflag) { int first = 1; for (int ilist = 0; ilist < nregion; ilist++) { if (regions[list[ilist]]->bboxflag == 0) continue; if (first) { extent_xlo = regions[list[ilist]]->extent_xlo; extent_ylo = regions[list[ilist]]->extent_ylo; extent_zlo = regions[list[ilist]]->extent_zlo; extent_xhi = regions[list[ilist]]->extent_xhi; extent_yhi = regions[list[ilist]]->extent_yhi; extent_zhi = regions[list[ilist]]->extent_zhi; first = 0; } extent_xlo = MAX(extent_xlo,regions[list[ilist]]->extent_xlo); extent_ylo = MAX(extent_ylo,regions[list[ilist]]->extent_ylo); extent_zlo = MAX(extent_zlo,regions[list[ilist]]->extent_zlo); extent_xhi = MIN(extent_xhi,regions[list[ilist]]->extent_xhi); extent_yhi = MIN(extent_yhi,regions[list[ilist]]->extent_yhi); extent_zhi = MIN(extent_zhi,regions[list[ilist]]->extent_zhi); } } // possible contacts = sum of possible contacts in all sub-regions // for near contacts and touching contacts cmax = 0; for (int ilist = 0; ilist < nregion; ilist++) cmax += regions[list[ilist]]->cmax; contact = new Contact[cmax]; tmax = 0; for (int ilist = 0; ilist < nregion; ilist++) { if (interior) tmax += regions[list[ilist]]->tmax; else tmax++; } } /* ---------------------------------------------------------------------- */ RegIntersect::~RegIntersect() { for (int ilist = 0; ilist < nregion; ilist++) delete [] idsub[ilist]; delete [] idsub; delete [] list; delete [] contact; } /* ---------------------------------------------------------------------- */ void RegIntersect::init() { Region::init(); // re-build list of sub-regions in case other regions were deleted // error if a sub-region was deleted for (int ilist = 0; ilist < nregion; ilist++) { int iregion = domain->find_region(idsub[ilist]); if (iregion == -1) error->all(FLERR,"Region union region ID does not exist"); list[ilist] = iregion; } // init the sub-regions Region **regions = domain->regions; for (int ilist = 0; ilist < nregion; ilist++) regions[list[ilist]]->init(); } /* ---------------------------------------------------------------------- inside = 1 if x,y,z is match() with all sub-regions else inside = 0 ------------------------------------------------------------------------- */ int RegIntersect::inside(double x, double y, double z) { int ilist; Region **regions = domain->regions; for (ilist = 0; ilist < nregion; ilist++) if (!regions[list[ilist]]->match(x,y,z)) break; if (ilist == nregion) return 1; return 0; } /* ---------------------------------------------------------------------- compute contacts with interior of intersection of sub-regions (1) compute contacts in each sub-region (2) only keep a contact if surface point is match() to all other regions ------------------------------------------------------------------------- */ int RegIntersect::surface_interior(double *x, double cutoff) { int m,ilist,jlist,iregion,jregion,ncontacts; double xs,ys,zs; Region **regions = domain->regions; int n = 0; int walloffset = 0; for (ilist = 0; ilist < nregion; ilist++) { iregion = list[ilist]; ncontacts = regions[iregion]->surface(x[0],x[1],x[2],cutoff); for (m = 0; m < ncontacts; m++) { xs = x[0] - regions[iregion]->contact[m].delx; ys = x[1] - regions[iregion]->contact[m].dely; zs = x[2] - regions[iregion]->contact[m].delz; for (jlist = 0; jlist < nregion; jlist++) { if (jlist == ilist) continue; jregion = list[jlist]; if (!regions[jregion]->match(xs,ys,zs)) break; } if (jlist == nregion) { contact[n].r = regions[iregion]->contact[m].r; contact[n].radius = regions[iregion]->contact[m].radius; contact[n].delx = regions[iregion]->contact[m].delx; contact[n].dely = regions[iregion]->contact[m].dely; contact[n].delz = regions[iregion]->contact[m].delz; contact[n].iwall = regions[iregion]->contact[m].iwall + walloffset; contact[n].varflag = regions[iregion]->contact[m].varflag; n++; } } // increment by cmax instead of tmax to insure // possible wall IDs for sub-regions are non overlapping walloffset += regions[iregion]->cmax; } return n; } /* ---------------------------------------------------------------------- compute contacts with interior of intersection of sub-regions (1) flip interior/exterior flag of each sub-region (2) compute contacts in each sub-region (3) only keep a contact if surface point is not match() to all other regions (4) flip interior/exterior flags back to original settings this is effectively same algorithm as surface_interior() for RegUnion ------------------------------------------------------------------------- */ int RegIntersect::surface_exterior(double *x, double cutoff) { int m,ilist,jlist,iregion,jregion,ncontacts; double xs,ys,zs; Region **regions = domain->regions; int n = 0; for (ilist = 0; ilist < nregion; ilist++) regions[list[ilist]]->interior ^= 1; for (ilist = 0; ilist < nregion; ilist++) { iregion = list[ilist]; ncontacts = regions[iregion]->surface(x[0],x[1],x[2],cutoff); for (m = 0; m < ncontacts; m++) { xs = x[0] - regions[iregion]->contact[m].delx; ys = x[1] - regions[iregion]->contact[m].dely; zs = x[2] - regions[iregion]->contact[m].delz; for (jlist = 0; jlist < nregion; jlist++) { if (jlist == ilist) continue; jregion = list[jlist]; if (regions[jregion]->match(xs,ys,zs)) break; } if (jlist == nregion) { contact[n].r = regions[iregion]->contact[m].r; contact[n].radius = regions[iregion]->contact[m].radius; contact[n].delx = regions[iregion]->contact[m].delx; contact[n].dely = regions[iregion]->contact[m].dely; contact[n].delz = regions[iregion]->contact[m].delz; contact[n].iwall = ilist; contact[n].varflag = regions[iregion]->contact[m].varflag; n++; } } } for (ilist = 0; ilist < nregion; ilist++) regions[list[ilist]]->interior ^= 1; return n; } /* ---------------------------------------------------------------------- change region shape of all sub-regions ------------------------------------------------------------------------- */ void RegIntersect::shape_update() { Region **regions = domain->regions; for (int ilist = 0; ilist < nregion; ilist++) regions[list[ilist]]->shape_update(); } /* ---------------------------------------------------------------------- move/rotate all sub-regions ------------------------------------------------------------------------- */ void RegIntersect::pretransform() { Region **regions = domain->regions; for (int ilist = 0; ilist < nregion; ilist++) regions[list[ilist]]->pretransform(); } /* ---------------------------------------------------------------------- get translational/angular velocities of all subregions ------------------------------------------------------------------------- */ void RegIntersect::set_velocity() { Region **regions = domain->regions; for (int ilist = 0; ilist < nregion; ilist++) regions[list[ilist]]->set_velocity(); } /* ---------------------------------------------------------------------- increment length of restart buffer based on region info used by restart of fix/wall/gran/region ------------------------------------------------------------------------- */ void RegIntersect::length_restart_string(int& n) { n += sizeof(int) + strlen(id)+1 + sizeof(int) + strlen(style)+1 + sizeof(int); for (int ilist = 0; ilist < nregion; ilist++) domain->regions[list[ilist]]->length_restart_string(n); } /* ---------------------------------------------------------------------- region writes its current position/angle needed by fix/wall/gran/region to compute velocity by differencing scheme ------------------------------------------------------------------------- */ void RegIntersect::write_restart(FILE *fp) { int sizeid = (strlen(id)+1); int sizestyle = (strlen(style)+1); fwrite(&sizeid, sizeof(int), 1, fp); fwrite(id, 1, sizeid, fp); fwrite(&sizestyle, sizeof(int), 1, fp); fwrite(style, 1, sizestyle, fp); fwrite(&nregion,sizeof(int),1,fp); for (int ilist = 0; ilist < nregion; ilist++) { domain->regions[list[ilist]]->write_restart(fp); } } /* ---------------------------------------------------------------------- region reads its previous position/angle needed by fix/wall/gran/region to compute velocity by differencing scheme ------------------------------------------------------------------------- */ int RegIntersect::restart(char *buf, int &n) { int size = *((int *) (&buf[n])); n += sizeof(int); if ((size <= 0) || (strcmp(&buf[n],id) != 0)) return 0; n += size; size = *((int *) (&buf[n])); n += sizeof(int); if ((size <= 0) || (strcmp(&buf[n],style) != 0)) return 0; n += size; int restart_nreg = *((int *) (&buf[n])); n += sizeof(int); if (restart_nreg != nregion) return 0; for (int ilist = 0; ilist < nregion; ilist++) if (!domain->regions[list[ilist]]->restart(buf,n)) return 0; return 1; } /* ---------------------------------------------------------------------- set prev vector to zero ------------------------------------------------------------------------- */ void RegIntersect::reset_vel() { for (int ilist = 0; ilist < nregion; ilist++) domain->regions[list[ilist]]->reset_vel(); }