/* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*- * * $Id$ * * Copyright (c) 2009-2014, Erik Lindahl & David van der Spoel * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * 1. Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * 2. Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE * DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE * FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL * DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR * SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER * CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, * OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. */ #ifndef _xdrfile_xtc_h #define _xdrfile_xtc_h #ifdef __cplusplus extern "C" { #endif #include "xdrfile.h" /* All functions return exdrOK if succesfull. * (error codes defined in xdrfile.h). */ /* This function returns the number of atoms in the xtc file in *natoms */ extern int read_xtc_natoms(const char *fn, int *natoms); /* Read one frame of an open xtc file */ extern int read_xtc(XDRFILE *xd, int natoms, int *step, float *time, matrix box, rvec *x, float *prec); /* Write a frame to xtc file */ extern int write_xtc(XDRFILE *xd, int natoms, int step, float time, matrix box, rvec *x, float prec); #ifdef __cplusplus } #endif #endif