git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2006-09-27 19:51:33 +00:00
parent 3422cb245c
commit 222c95507e
536 changed files with 108384 additions and 0 deletions
--- a/src/region.cpp
+++ b/src/region.cpp
@ -0,0 +1,99 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   www.cs.sandia.gov/~sjplimp/lammps.html
+   Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+
+   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 "stdlib.h"
+#include "string.h"
+#include "region.h"
+#include "domain.h"
+#include "error.h"
+
+/* ---------------------------------------------------------------------- */
+
+Region::Region(int narg, char **arg)
+{
+  // region ID
+
+  int n = strlen(arg[0]) + 1;
+  id = new char[n];
+  strcpy(id,arg[0]);
+
+  // set option defaults
+
+  interior = 1;
+  scaleflag = 1;
+
+  // read style and options from end of input line
+
+  n = strlen(arg[1]) + 1;
+  style = new char[n];
+  strcpy(style,arg[1]);
+
+  if (strcmp(style,"block") == 0) options(narg-8,&arg[8]);
+  else if (strcmp(style,"sphere") == 0) options(narg-6,&arg[6]);
+  else if (strcmp(arg[1],"cylinder") == 0) options(narg-8,&arg[8]);
+  else if (strcmp(arg[1],"union") == 0) {
+    if (narg < 5) error->all("Illegal region command");
+    n = atoi(arg[2]);
+    options(narg-(n+3),&arg[n+3]);
+  } else if (strcmp(arg[1],"intersect") == 0) {
+    if (narg < 5) error->all("Illegal region command");
+    n = atoi(arg[2]);
+    options(narg-(n+3),&arg[n+3]);
+  } else error->all("Illegal region command");
+
+  // setup scaling
+
+  if (scaleflag && strcmp(domain->lattice_style,"none") == 0)
+    error->all("Use of region with undefined lattice");
+
+  if (scaleflag) {
+    xscale = domain->xlattice;
+    yscale = domain->ylattice;
+    zscale = domain->zlattice;
+  }
+  else xscale = yscale = zscale = 1.0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+Region::~Region()
+{
+  delete [] id;
+  delete [] style;
+}
+
+/* ----------------------------------------------------------------------
+   parse optional parameters at end of region input line
+------------------------------------------------------------------------- */
+
+void Region::options(int narg, char **arg)
+{
+  if (narg < 0) error->all("Illegal region command");
+
+  int iarg = 0;
+  while (iarg < narg) {
+    if (strcmp(arg[iarg],"units") == 0) {
+      if (iarg+2 > narg) error->all("Illegal region command");
+      if (strcmp(arg[iarg+1],"box") == 0) scaleflag = 0;
+      else if (strcmp(arg[iarg+1],"lattice") == 0) scaleflag = 1;
+      else error->all("Illegal region command");
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"side") == 0) {
+      if (iarg+2 > narg) error->all("Illegal region command");
+      if (strcmp(arg[iarg+1],"in") == 0) interior = 1;
+      else if (strcmp(arg[iarg+1],"out") == 0) interior = 0;
+      else error->all("Illegal region command");
+      iarg += 2;
+    } else error->all("Illegal region command");
+  }
+}