hillclimber 0.1.5a8__cp314-cp314-macosx_15_0_x86_64.whl

plumed/_lib/include/plumed/xdrfile/xdrfile.h

@@ -0,0 +1,663 @@
+/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+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 __PLUMED_xdrfile_xdrfile_h
+#define __PLUMED_xdrfile_xdrfile_h
+/* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*- 
+ *
+ * $Id: xdrfile.h,v 1.1 2010/10/08 11:53:37 spoel Exp spoel $
+ *
+ * -*- 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.
+ */
+
+/*! \file  xdrfile.h
+ *  \brief Interface to read/write portabile binary files using XDR.
+ *
+ * This file provides an interface to read & write portably binary files,
+ * using XDR - the external data representation standard defined in RFC 1014. 
+ * 
+ * There are several advantages to the XDR approach:
+ *
+ * -# It is portable. And not just portable between big/small integer endian,
+ *    but truly portable if you have system XDR routines. For example:
+ *       - It doesn't matter if the character representation is ASCII or EBCDIC.
+ *       - Some systems are small endian but use big endian order of the two
+ *         dword in a double precision floating-point variable. The system XDR
+ *         libraries will read/write this correctly.
+ *       - Some systems (VAX...) don't use IEEE floating point. Their system
+ *         XDR libraries will convert to/from this automatically.
+ * -# XDR libraries are required for NFS and lots of other network functions.
+ *    This means there isn't a single Unix-like system that doesn't have them.
+ * -# There is NO extra metadata whatsoever, and we write plain XDR files.
+ *    If you write a float, it will take exactly 4 bytes in the file. 
+ *    (All basic datatypes are 4 bytes, double fp 8 bytes). 
+ * -# You can read/write the files by calling the system XDR routines directly
+ *    too - you don't have to use the routines defined in this file.
+ * -# It is no problem if your system doesn't have XDR libraries (MS Windows).
+ *    We have written our own versions of the necessary routines that work if
+ *    your system uses ASCII for strings and IEEE floating-point. All types
+ *    of byte and dword endian for integer and floating-point are supported.
+ * -# You can use these routines for any type of data, but since we designed
+ *    them for Gromacs we also provide a special routine to write coordinates
+ *    with (adjustable) lossy compression. The default precision will give you
+ *    three decimals guaranteed accuracy, and reduces the filesize to 1/10th
+ *    of normal binary data.
+ *
+ * We do not support getting or setting positions in XDR files, since it can
+ * break in horrible ways for large (64-bit) files, resulting in silent data
+ * corruption. Note that it works great to open/read/write 64-bit files if
+ * your system supports it; it is just the random access we cannot trust!
+ *
+ * We also provide wrapper routines so this module can be used from FORTRAN -
+ * see the file xdrfile_fortran.txt in the Gromacs distribution for 
+ * documentation on the FORTRAN interface!
+ */
+
+
+#ifndef _XDRFILE_H_
+#define _XDRFILE_H_
+
+namespace PLMD
+{
+namespace xdrfile
+{
+
+	/*! \brief Abstract datatype for an portable binary file handle 
+	 *
+	 *  This datatype essentially works just like the standard FILE type in C.
+	 *  The actual contents is hidden in the implementation, so you can only
+	 *  define pointers to it, for use with the xdrfile routines. 
+	 *  
+	 *  If you \a really need to see the definition it is in xdrfile.c, but you
+	 *  cannot access elements of the structure outside that file.
+	 *
+	 *  \warning The implementation is completely different from the C standard
+	 *  library FILE, so don't even think about using an XDRFILE pointer as an 
+	 *  argument to a routine that needs a standard FILE pointer.
+	 */
+        typedef struct XDRFILE XDRFILE;
+
+	enum { exdrOK, exdrHEADER, exdrSTRING, exdrDOUBLE, 
+		   exdrINT, exdrFLOAT, exdrUINT, exdr3DX, exdrCLOSE, exdrMAGIC,
+		   exdrNOMEM, exdrENDOFFILE, exdrFILENOTFOUND, exdrNR };
+
+	extern const char *exdr_message[exdrNR];
+
+#define DIM 3
+	typedef float matrix[DIM][DIM];
+	typedef float rvec[DIM];
+	typedef int   mybool;
+
+
+	/*! \brief Open a portable binary file, just like fopen()
+	 *
+	 *  Use this routine much like calls to the standard library function
+	 *  fopen(). The only difference is that the returned pointer should only
+	 *  be used with routines defined in this header.
+	 *
+	 *  \param path  Full or relative path (including name) of the file
+	 *  \param mode  "r" for reading, "w" for writing, "a" for append.
+	 *
+	 *  \return Pointer to abstract xdr file datatype, or NULL if an error occurs.
+	 *
+	 */
+	XDRFILE *
+	xdrfile_open    (const char *    path, 
+					 const char *    mode);
+
+
+	/*! \brief Close a previously opened portable binary file, just like fclose()
+	 *
+	 *  Use this routine much like calls to the standard library function
+	 *  fopen(). The only difference is that it is used for an XDRFILE handle
+	 *  instead of a FILE handle.
+	 * 
+	 *  \param xfp  Pointer to an abstract XDRFILE datatype
+	 *
+	 *  \return     0 on success, non-zero on error. 
+	 */
+	int
+	xdrfile_close   (XDRFILE *       xfp);
+
+
+
+
+	/*! \brief Read one or more \a char type variable(s) 
+	 *
+	 *  \param ptr    Pointer to memory where data should be written
+	 *  \param ndata  Number of characters to read
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of characters read
+	 */
+	int
+	xdrfile_read_char(char *      ptr, 
+					  int         ndata, 
+					  XDRFILE *   xfp);
+
+
+
+	/*! \brief Write one or more \a characters type variable(s)
+	 *
+	 *  \param ptr    Pointer to memory where data should be read 
+	 *  \param ndata  Number of characters to write.
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of characters written
+	 */
+	int
+	xdrfile_write_char(char *      ptr, 
+					   int         ndata, 
+					   XDRFILE *   xfp);
+
+
+
+	/*! \brief Read one or more \a unsigned \a char type variable(s) 
+	 *
+	 *  \param ptr    Pointer to memory where data should be written
+	 *  \param ndata  Number of unsigned characters to read
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of unsigned characters read
+	 */
+	int
+	xdrfile_read_uchar(unsigned char *    ptr, 
+					   int		          ndata, 
+					   XDRFILE *          xfp);
+
+
+
+	/*! \brief Write one or more \a unsigned \a characters type variable(s)
+	 *
+	 *  \param ptr    Pointer to memory where data should be read 
+	 *  \param ndata  Number of unsigned characters to write.
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of unsigned characters written
+	 */
+	int
+	xdrfile_write_uchar(unsigned char *   ptr, 
+						int               ndata, 
+						XDRFILE *         xfp);
+
+
+
+	/*! \brief Read one or more \a short type variable(s) 
+	 *
+	 *  \param ptr    Pointer to memory where data should be written
+	 *  \param ndata  Number of shorts to read
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of shorts read
+	 */
+	int
+	xdrfile_read_short(short *             ptr, 
+					   int                 ndata, 
+					   XDRFILE *           xfp);
+
+
+
+	/*! \brief Write one or more \a short type variable(s)
+	 *
+	 *  \param ptr    Pointer to memory where data should be read 
+	 *  \param ndata  Number of shorts to write.
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of shorts written
+	 */
+	int
+	xdrfile_write_short(short *            ptr, 
+						int                ndata, 
+						XDRFILE *          xfp);
+
+
+
+	/*! \brief Read one or more \a unsigned \a short type variable(s) 
+	 *
+	 *  \param ptr    Pointer to memory where data should be written
+	 *  \param ndata  Number of unsigned shorts to read
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of unsigned shorts read
+	 */
+	int
+	xdrfile_read_ushort(unsigned short *   ptr, 
+						int                ndata, 
+						XDRFILE *          xfp);
+
+
+
+	/*! \brief Write one or more \a unsigned \a short type variable(s)
+	 *
+	 *  \param ptr    Pointer to memory where data should be read 
+	 *  \param ndata  Number of unsigned shorts to write.
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of unsigned shorts written
+	 */
+	int
+	xdrfile_write_ushort(unsigned short *     ptr, 
+						 int                  ndata, 
+						 XDRFILE *            xfp);
+
+
+	/*! \brief Read one or more \a integer type variable(s) 
+	 *
+	 *  \param ptr    Pointer to memory where data should be written
+	 *  \param ndata  Number of integers to read
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of integers read
+	 *
+	 *  The integer data type is assumed to be less than or equal to 32 bits.
+	 *
+	 *  We do not provide any routines for reading/writing 64-bit integers, since
+	 *  - Not all XDR implementations support it
+	 *  - Not all machines have 64-bit integers
+	 *
+	 *  Split your 64-bit data into two 32-bit integers for portability!
+	 */
+	int
+	xdrfile_read_int(int *         ptr, 
+					 int           ndata, 
+					 XDRFILE *     xfp);
+
+
+
+	/*! \brief Write one or more \a integer type variable(s)
+	 *
+	 *  \param ptr    Pointer to memory where data should be read 
+	 *  \param ndata  Number of integers to write.
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of integers written
+	 *
+	 *  The integer data type is assumed to be less than or equal to 32 bits.
+	 *
+	 *  We do not provide any routines for reading/writing 64-bit integers, since
+	 *  - Not all XDR implementations support it
+	 *  - Not all machines have 64-bit integers 
+	 *
+	 *  Split your 64-bit data into two 32-bit integers for portability!
+	 */
+	int
+	xdrfile_write_int(int *        ptr, 
+					  int          ndata, 
+					  XDRFILE *    xfp);
+
+	/*! \brief Read one or more \a unsigned \a integers type variable(s) 
+	 *
+	 *  \param ptr    Pointer to memory where data should be written
+	 *  \param ndata  Number of unsigned integers to read
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of unsigned integers read
+	 *
+	 *  The integer data type is assumed to be less than or equal to 32 bits.
+	 *
+	 *  We do not provide any routines for reading/writing 64-bit integers, since
+	 *  - Not all XDR implementations support it
+	 *  - Not all machines have 64-bit integers
+	 *
+	 *  Split your 64-bit data into two 32-bit integers for portability!
+	 */
+	int
+	xdrfile_read_uint(unsigned int *    ptr, 
+					  int               ndata, 
+					  XDRFILE *         xfp);
+
+
+
+	/*! \brief Write one or more \a unsigned \a integer type variable(s)
+	 *
+	 *  \param ptr    Pointer to memory where data should be read 
+	 *  \param ndata  Number of unsigned integers to write.
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of unsigned integers written
+	 *
+	 *  The integer data type is assumed to be less than or equal to 32 bits.
+	 *
+	 *  We do not provide any routines for reading/writing 64-bit integers, since
+	 *  - Not all XDR implementations support it
+	 *  - Not all machines have 64-bit integers 
+	 *
+	 *  Split your 64-bit data into two 32-bit integers for portability!
+	 */
+	int
+	xdrfile_write_uint(unsigned int *    ptr, 
+					   int               ndata,  
+					   XDRFILE *         xfp);
+
+
+
+	/*! \brief Read one or more \a float type variable(s) 
+	 *
+	 *  \param ptr    Pointer to memory where data should be written
+	 *  \param ndata  Number of floats to read
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of floats read
+	 */
+	int
+	xdrfile_read_float(float *           ptr, 
+					   int               ndata, 
+					   XDRFILE *         xfp);
+
+
+
+	/*! \brief Write one or more \a float type variable(s)
+	 *
+	 *  \param ptr    Pointer to memory where data should be read 
+	 *  \param ndata  Number of floats to write.
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of floats written
+	 */
+	int
+	xdrfile_write_float(float *          ptr, 
+						int              ndata, 
+						XDRFILE *        xfp);
+
+
+
+	/*! \brief Read one or more \a double type variable(s) 
+	 *
+	 *  \param ptr    Pointer to memory where data should be written
+	 *  \param ndata  Number of doubles to read
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of doubles read
+	 */
+	int
+	xdrfile_read_double(double *          ptr, 
+						int               ndata, 
+						XDRFILE *         xfp);
+
+
+
+	/*! \brief Write one or more \a double type variable(s)
+	 *
+	 *  \param ptr    Pointer to memory where data should be read 
+	 *  \param ndata  Number of double to write.
+	 *  \param xfp    Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return       Number of doubles written
+	 */
+	int
+	xdrfile_write_double(double *        ptr, 
+						 int             ndata, 
+						 XDRFILE *       xfp);
+
+
+
+	/*! \brief Read a string (array of characters)
+	 *
+	 *  \param ptr     Pointer to memory where data should be written
+	 *  \param maxlen  Maximum length of string. If no end-of-string is encountered,
+	 *                 one byte less than this is read and end-of-string appended.
+	 *  \param xfp     Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return        Number of characters read, including end-of-string
+	 */
+	int
+	xdrfile_read_string(char *          ptr, 
+						int             maxlen, 
+						XDRFILE *       xfp);
+
+
+
+	/*! \brief Write a string (array of characters)
+	 *
+	 *  \param ptr     Pointer to memory where data should be read
+	 *  \param xfp     Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return        Number of characters written, including end-of-string
+	 */
+	int
+	xdrfile_write_string(char *          ptr, 
+						 XDRFILE *       xfp);
+
+
+
+	/*! \brief Read raw bytes from file (unknown datatype)
+	 *
+	 *  \param ptr     Pointer to memory where data should be written
+	 *  \param nbytes  Number of bytes to read. No conversion whatsoever is done.
+	 *  \param xfp     Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return        Number of bytes read from file
+	 */
+	int
+	xdrfile_read_opaque(char *             ptr, 
+						int                nbytes, 
+						XDRFILE *          xfp);
+
+
+
+
+	/*! \brief Write raw bytes to file (unknown datatype)
+	 *
+	 *  \param ptr     Pointer to memory where data should be read
+	 *  \param nbytes  Number of bytes to write. No conversion whatsoever is done.
+	 *  \param xfp     Handle to portable binary file, created with xdrfile_open()
+	 *
+	 *  \return        Number of bytes written to file
+	 */
+	int
+	xdrfile_write_opaque(char *            ptr, 
+						 int               nbytes, 
+						 XDRFILE *         xfp);
+
+
+
+
+
+
+	/*! \brief Compress coordiates in a float array to XDR file
+	 *
+	 *  This routine will perform \a lossy compression on the three-dimensional
+	 *  coordinate data data specified and store it in the XDR file.
+	 *
+	 *  The lossy part of the compression consists of multiplying each
+	 *  coordinate with the precision argument and then rounding to integers.
+	 *  We suggest a default value of 1000.0, which means you are guaranteed
+	 *  three decimals of accuracy. The only limitation is that scaled coordinates
+	 *  must still fit in an integer variable, so if the precision is 1000.0 the
+	 *  coordinate magnitudes must be less than +-2e6.
+	 *
+	 *  \param ptr        Pointer to coordinates to compress (length 3*ncoord)
+	 *  \param ncoord     Number of coordinate triplets in data
+	 *  \param precision  Scaling factor for lossy compression. If it is <=0, 
+	 *                    the default value of 1000.0 is used.
+	 *  \param xfp        Handle to portably binary file
+	 *
+	 *  \return           Number of coordinate triplets written. 
+	 *                    IMPORTANT: Check that this is equal to ncoord - if it is
+	 *                    negative, an error occured. This should not happen with 
+	 *	   	              normal data, but if your coordinates are NaN or very
+	 *                    large (>1e6) it is not possible to use the compression.
+	 *
+	 *  \warning          The compression algorithm is not part of the XDR standard,
+	 *                    and very complicated, so you will need this xdrfile module 
+	 *                    to read it later. 
+	 */
+	int
+	xdrfile_compress_coord_float(float *     ptr,
+								 int         ncoord,
+								 float       precision,
+								 XDRFILE *   xfp);
+
+
+
+
+	/*! \brief Decompress coordiates from XDR file to array of floats
+	 *
+	 *  This routine will decompress three-dimensional coordinate data previously 
+	 *  stored in an XDR file and store it in the specified array of floats.
+	 *
+	 *  The precision used during the earlier compression is read from the file
+	 *  and returned - you cannot adjust the accuracy at this stage.
+	 *
+	 *  \param ptr        Pointer to coordinates to compress (length>= 3*ncoord)
+	 *  \param ncoord     Max number of coordinate triplets to read on input, actual
+	 *                    number of coordinate triplets read on return. If this
+	 *                    is smaller than the number of coordinates in the frame an
+	 *                    error will occur.
+	 *  \param precision  The precision used in the previous compression will be
+	 *                    written to this variable on return.
+	 *  \param xfp        Handle to portably binary file
+	 *
+	 *  \return           Number of coordinate triplets read. If this is negative,
+	 *                    an error occured.
+	 *
+	 *  \warning          Since we cannot count on being able to set/get the 
+	 *                    position of large files (>2Gb), it is not possible to
+	 *                    recover from errors by re-reading the frame if the 
+	 *                    storage area you provided was too small. To avoid this 
+	 *                    from happening, we recommend that you store the number of 
+	 *                    coordinates triplet as an integer either in a header or
+	 *                    just before the compressed coordinate data, so you can 
+	 *                    read it first and allocated enough memory.
+	 */
+	int
+	xdrfile_decompress_coord_float(float *     ptr,
+								   int *	   ncoord,
+								   float *     precision,
+								   XDRFILE *   xfp);
+
+
+
+
+	/*! \brief Compress coordiates in a double array to XDR file
+	 *
+	 *  This routine will perform \a lossy compression on the three-dimensional
+	 *  coordinate data data specified and store it in the XDR file. Double will
+	 *  NOT give you any extra precision since the coordinates are compressed. This
+	 *  routine just avoids allocating a temporary array of floats.
+	 *
+	 *  The lossy part of the compression consists of multiplying each
+	 *  coordinate with the precision argument and then rounding to integers.
+	 *  We suggest a default value of 1000.0, which means you are guaranteed
+	 *  three decimals of accuracy. The only limitation is that scaled coordinates
+	 *  must still fit in an integer variable, so if the precision is 1000.0 the
+	 *  coordinate magnitudes must be less than +-2e6.
+	 *
+	 *  \param ptr        Pointer to coordinates to compress (length 3*ncoord)
+	 *  \param ncoord     Number of coordinate triplets in data
+	 *  \param precision  Scaling factor for lossy compression. If it is <=0, the
+	 *                    default value of 1000.0 is used.
+	 *  \param xfp        Handle to portably binary file
+	 *
+	 *  \return           Number of coordinate triplets written. 
+	 *                    IMPORTANT: Check that this is equal to ncoord - if it is
+	 *                    negative, an error occured. This should not happen with 
+	 *                    normal data, but if your coordinates are NaN or very
+	 *                    large (>1e6) it is not possible to use the compression.
+	 *
+	 *  \warning          The compression algorithm is not part of the XDR standard,
+	 *                    and very complicated, so you will need this xdrfile module 
+	 *                    to read it later. 
+	 */
+	int
+	xdrfile_compress_coord_double(double *     ptr,
+								  int          ncoord,
+								  double       precision,
+								  XDRFILE *    xfp);
+
+
+
+
+	/*! \brief Decompress coordiates from XDR file to array of doubles
+	 *
+	 *  This routine will decompress three-dimensional coordinate data previously 
+	 *  stored in an XDR file and store it in the specified array of doubles.
+	 *  Double will NOT give you any extra precision since the coordinates are 
+	 *  compressed. This routine just avoids allocating a temporary array of floats.
+	 *
+	 *  The precision used during the earlier compression is read from the file
+	 *  and returned - you cannot adjust the accuracy at this stage.
+	 *
+	 *  \param ptr        Pointer to coordinates to compress (length>= 3*ncoord)
+	 *  \param ncoord     Max number of coordinate triplets to read on input, actual
+	 *                    number of coordinate triplets read on return. If this
+	 *                    is smaller than the number of coordinates in the frame an
+	 *                    error will occur.
+	 *  \param precision  The precision used in the previous compression will be
+	 *                    written to this variable on return.
+	 *  \param xfp        Handle to portably binary file
+	 *
+	 *  \return           Number of coordinate triplets read. If this is negative,
+	 *                    an error occured.
+	 *
+	 *  \warning          Since we cannot count on being able to set/get the 
+	 *                    position of large files (>2Gb), it is not possible to
+	 *                    recover from errors by re-reading the frame if the 
+	 *                    storage area you provided was too small. To avoid this 
+	 *                    from happening, we recommend that you store the number of 
+	 *                    coordinates triplet as an integer either in a header or
+	 *                    just before the compressed coordinate data, so you can 
+	 *                    read it first and allocated enough memory.
+	 */
+	int
+	xdrfile_decompress_coord_double(double *     ptr,
+									int *	     ncoord,
+									double *     precision,
+									XDRFILE *    xfp);
+
+
+
+}
+}
+
+#endif /* _XDRFILE_H_ */
+
+#endif