git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10918 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/write_dump.cpp

@@ -0,0 +1,69 @@
+/* ----------------------------------------------------------------------
+   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.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author:  Axel Kohlmeyer (Temple U)
+------------------------------------------------------------------------- */
+
+#include "write_dump.h"
+#include "style_dump.h"
+#include "dump.h"
+#include "atom.h"
+#include "group.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+void WriteDump::command(int narg, char **arg)
+{
+  if (narg < 3) error->all(FLERR,"Illegal write_dump command");
+
+  if (atom->tag_enable == 0)
+      error->all(FLERR,"Must have atom IDs for write_dump command");
+
+  // modindex = index in args of "modify", narg if doesn't exist
+
+  int modindex;
+  for (modindex = 0; modindex < narg; modindex++)
+    if (strcmp(arg[modindex],"modify") == 0) break;
+
+  // create the Dump instance
+
+  Dump *dump;
+
+  if (0) return;         // dummy line to enable else-if macro expansion
+
+#define DUMP_CLASS
+#define DumpStyle(key,Class) \
+  else if (strcmp(arg[2],#key) == 0) dump = new Class(lmp,modindex,arg);
+#include "style_dump.h"
+#undef DUMP_CLASS
+
+  else error->all(FLERR,"Invalid dump style");
+
+  // pass additional args to modify_params
+
+  if (modindex < narg) dump->modify_params(narg-modindex-1,&arg[modindex+1]);
+
+  // write the current snapshot to dump file
+
+  dump->init();
+  dump->write();
+
+  // delete the Dump instance
+
+  delete dump;
+}
+