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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9299 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-01-18 20:39:12 +00:00
parent aa62e9b389
commit 2d6d2de507
7 changed files with 108 additions and 24 deletions
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34
src/region.cpp
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@ -36,9 +36,10 @@ Region::Region(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
style = new char[n];
strcpy(style,arg[1]);
varshape = 0;
xstr = ystr = zstr = tstr = NULL;
dx = dy = dz = 0.0;
laststep = -1;
lastshape = lastdynamic = -1;
}
/* ---------------------------------------------------------------------- */
@ -100,23 +101,35 @@ int Region::dynamic_check()
XOR computes 0 if 2 args are the same, 1 if different
note that inside() returns 1 for points on surface of region
thus point on surface of exterior region will not match
if region has variable shape, invoke shape_update() once per timestep
if region is dynamic, apply inverse transform to x,y,z
unmove first, then unrotate, so don't have to change rotation point
caller is responsible for wrapping this call with
modify->clearstep_compute() and modify->addstep_compute() if needed
------------------------------------------------------------------------- */
int Region::match(double x, double y, double z)
{
if (dynamic) inverse_transform(x,y,z);
if (varshape && update->ntimestep != lastshape) {
shape_update();
lastshape = update->ntimestep;
}
if (dynamic && update->ntimestep) inverse_transform(x,y,z);
return !(inside(x,y,z) ^ interior);
}
/* ----------------------------------------------------------------------
generate list of contact points for interior or exterior regions
if region has variable shape, invoke shape_update() once per timestep
if region is dynamic:
before: inverse transform x,y,z (unmove, then unrotate)
after: forward transform contact point xs,yx,zs (rotate, then move),
then reset contact delx,dely,delz based on new contact point
no need to do this if no rotation since delxyz doesn't change
caller is responsible for wrapping this call with
modify->clearstep_compute() and modify->addstep_compute() if needed
------------------------------------------------------------------------- */
int Region::surface(double x, double y, double z, double cutoff)
@ -125,6 +138,11 @@ int Region::surface(double x, double y, double z, double cutoff)
double xs,ys,zs;
double xnear[3],xorig[3];
if (varshape && update->ntimestep != lastshape) {
shape_update();
lastshape = update->ntimestep;
}
if (dynamic) {
xorig[0] = x;
xorig[1] = y;
@ -179,13 +197,13 @@ void Region::add_contact(int n, double *x, double xp, double yp, double zp)
void Region::forward_transform(double &x, double &y, double &z)
{
if (rotateflag) {
if (update->ntimestep != laststep)
if (update->ntimestep != lastdynamic)
theta = input->variable->compute_equal(tvar);
rotate(x,y,z,theta);
}
if (moveflag) {
if (update->ntimestep != laststep) {
if (update->ntimestep != lastdynamic) {
if (xstr) dx = input->variable->compute_equal(xvar);
if (ystr) dy = input->variable->compute_equal(yvar);
if (zstr) dz = input->variable->compute_equal(zvar);
@ -195,7 +213,7 @@ void Region::forward_transform(double &x, double &y, double &z)
z += dz;
}
laststep = update->ntimestep;
lastdynamic = update->ntimestep;
}
/* ----------------------------------------------------------------------
@ -206,7 +224,7 @@ void Region::forward_transform(double &x, double &y, double &z)
void Region::inverse_transform(double &x, double &y, double &z)
{
if (moveflag) {
if (update->ntimestep != laststep) {
if (update->ntimestep != lastdynamic) {
if (xstr) dx = input->variable->compute_equal(xvar);
if (ystr) dy = input->variable->compute_equal(yvar);
if (zstr) dz = input->variable->compute_equal(zvar);
@ -217,12 +235,12 @@ void Region::inverse_transform(double &x, double &y, double &z)
}
if (rotateflag) {
if (update->ntimestep != laststep)
if (update->ntimestep != lastdynamic)
theta = input->variable->compute_equal(tvar);
rotate(x,y,z,-theta);
}
laststep = update->ntimestep;
lastdynamic = update->ntimestep;
}
/* ----------------------------------------------------------------------