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