function_parser.h

Go to the documentation of this file.

/*
 *function_parser
 *parses the wavefunctions from Craig Pryor's dotcode.
 
 Copyright (C) 2006 Joseph Pingenot

    This program is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2 of the License, or
    (at your option) any later version.

    This program is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    GNU General Public License for more details.

    You should have received a copy of the GNU General Public License
    along with this program; if not, write to the Free Software
    Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301  USA

*/

#include <glib-2.0/glib.h>
#include <gio/gio.h>

#ifndef WAVEFUNCTION_PARSER_H___
#define WAVEFUNCTION_PARSER_H___

struct wavefunc_header {
  /*We include trailing \0 for easy printing.*/
  char format[13];
  char endian;
  /*Easy-to-use flag for IF statements*/
  short int little_endian;
  char version_string[4];
  /*from version_string, but as int*/
  int version;
  int Nc;
  int Nx;
  int Ny;
  int Nz;
  double dx;
  double dy;
  double dz;
  /*Hartree*/
  double energy;
};

/*Reads in a wavefunction from a filename (or GFile)
 *ARGS:
 *  filename     filename to read in
 *  header       pointer to a header we will fill in.
 *  matrix       pointer to a pointer of type double.  We will store
 *                a pointer to the matrix here.
 *  err          pointer to an int in which to store errno, if needed.  If
 *                not, is set to 0.
 *RETURNS  (E indicates that err is set to errno)
 *     0            if successful
 *    -1            header pointer was NULL
 *    -2            filename was NULL
 *  E -3            failed to open file
 *  E -4            failed to read in all of a header (NOTE: may return
 *                    with err=0, meaning that the file was just too short.
 *  E -5            matrix was NULL
 *  E -7            error parsing header  err is set to the return value
 *                    of parse_header.
 *  E -8            failed to allocate matrix storage.
 *NOTES
 ** matrix format is as follows:
 *    [{Re,Im} + N_band*2 + x*Nc*2 + y*Nx*Nc*2 + z*Ny*Nx*Nc*2]
 *
 *       where
 *
 *    [1][*][*][*][*] is Re
 *    [2][*][*][*][*] is Im
 */
int read_wavefunction(char* filename, struct wavefunc_header *header, double **matrix, int *err);
int read_wavefunction_gfile(GFile* f, struct wavefunc_header *header, double **matrix, GError **err);

double get_binary_double(int le, char *buffer);
int get_binary_int(int le, char *buffer);
int parse_header(struct wavefunc_header *header, char *buff);
int resilient_read(GFileInputStream *infile, char *buffer, int count, GError **err);


#endif