read_dump_xyz.h
8ec30a149a51lammm-devel

read_dump_xyz.h
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			/* -- c++ -- ----------------------------------------------------------
			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.

			Contributed by Timothy Sirk
			------------------------------------------------------------------------- */

			#ifndef LMP_READ_DUMP_XYZ_H
			#define LMP_READ_DUMP_XYZ_H

			#include "stdio.h"
			#include "pointers.h"

			namespace LAMMPS_NS {

			class ReadDumpXYZ : protected Pointers {
			public:
			ReadDumpXYZ(class LAMMPS *);
			~ReadDumpXYZ();

			void file(FILE *);
			int read_time(bigint &);
			void skip();
			bigint read_header(double [3][3], int &, int, int, int , char *,
			int, int &, int &, int &, int &);
			void read_atoms(int, int, double **);

			private:
			FILE *fp; // pointer to file opened by caller
			char *line; // line read from dump file
			bigint nstep; // current (time) step number
			bigint natoms; // current number of atoms
			bigint nid; // current atom id.

			int *fieldindex; // mapping of input fields to dump

			void read_lines(int);
			};

			}

			#endif