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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3633 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-01-08 22:54:13 +00:00
parent 654e03d382
commit e3c029753d
26 changed files with 2110 additions and 136 deletions
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142
src/region_intersect.cpp
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@ -45,24 +45,44 @@ RegIntersect::RegIntersect(LAMMPS *lmp, int narg, char **arg) :
}
// extent of intersection of regions
// has bounding box if interior and any sub-region has bounding box
Region **regions = domain->regions;
extent_xlo = regions[list[0]]->extent_xlo;
extent_ylo = regions[list[0]]->extent_ylo;
extent_zlo = regions[list[0]]->extent_zlo;
extent_xhi = regions[list[0]]->extent_xhi;
extent_yhi = regions[list[0]]->extent_yhi;
extent_zhi = regions[list[0]]->extent_zhi;
bboxflag = 0;
for (int ilist = 0; ilist < nregion; ilist++)
if (regions[list[ilist]]->bboxflag == 1) bboxflag = 1;
if (!interior) bboxflag = 0;
for (int ilist = 1; ilist < nregion; ilist++) {
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);
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
cmax = 0;
for (int ilist = 0; ilist < nregion; ilist++)
cmax += regions[list[ilist]]->cmax;
contact = new Contact[cmax];
}
/* ---------------------------------------------------------------------- */
@ -70,9 +90,13 @@ RegIntersect::RegIntersect(LAMMPS *lmp, int narg, char **arg) :
RegIntersect::~RegIntersect()
{
delete [] list;
delete [] contact;
}
/* ---------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
inside = 1 if x,y,z is match() with all sub-regions
else inside = 0
------------------------------------------------------------------------- */
int RegIntersect::match(double x, double y, double z)
{
@ -81,9 +105,95 @@ int RegIntersect::match(double x, double y, double z)
for (ilist = 0; ilist < nregion; ilist++)
if (!regions[list[ilist]]->match(x,y,z)) break;
int inside; // inside if matched all regions
int inside = 0; // inside if matched all regions
if (ilist == nregion) inside = 1;
else inside = 0;
return !(inside ^ interior); // 1 if same, 0 if different
}
/* ----------------------------------------------------------------------
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;
for (ilist = 0; ilist < nregion; ilist++) {
iregion = list[ilist];
ncontacts = regions[iregion]->surface(x,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].delx = regions[iregion]->contact[m].delx;
contact[n].dely = regions[iregion]->contact[m].dely;
contact[n].delz = regions[iregion]->contact[m].delz;
n++;
}
}
}
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,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].delx = regions[iregion]->contact[m].delx;
contact[n].dely = regions[iregion]->contact[m].dely;
contact[n].delz = regions[iregion]->contact[m].delz;
n++;
}
}
}
for (ilist = 0; ilist < nregion; ilist++)
regions[list[ilist]]->interior ^= 1;
return n;
}