git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3642 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2010-01-11 20:25:07 +00:00
parent 056c4e38d3
commit 322ed02798
23 changed files with 506 additions and 49 deletions
--- a/src/region_plane.cpp
+++ b/src/region_plane.cpp
@ -0,0 +1,110 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, 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 "math.h"
+#include "stdlib.h"
+#include "string.h"
+#include "region_plane.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+RegPlane::RegPlane(LAMMPS *lmp, int narg, char **arg) :
+  Region(lmp, narg, arg)
+{
+  options(narg-8,&arg[8]);
+
+  xp = xscale*atof(arg[2]);
+  yp = yscale*atof(arg[3]);
+  zp = zscale*atof(arg[4]);
+  normal[0] = xscale*atof(arg[5]);
+  normal[1] = yscale*atof(arg[6]);
+  normal[2] = zscale*atof(arg[7]);
+
+  // enforce unit normal
+
+  double rsq = normal[0]*normal[0] + normal[1]*normal[1] + normal[2]*normal[2];
+  if (rsq == 0.0) error->all("Illegal region plane command");
+  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];
+}
+
+/* ---------------------------------------------------------------------- */
+
+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];
+    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];
+    return 1;
+  }
+  return 0;
+}