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