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/* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *\
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
**                                                                                 **
**                                                                                 **
**                                 E N S E M B L E                                 **
**                                                                                 **
**                                   Version 2.1                                   **
**                                                                                 **
**                                                                                 **
**                   Principal Investigator: Julie D. Forman-Kay                   **
**                                                                                 **
**                           Author:  Mickaël Krzeminski                           **
**                                                                                 **
**                               Date: November 2012                               **
**                                                                                 **
**                                                                                 **
*************************************************************************************
**                                                                                 **
**                                                                                 **
**   Copyright (C) The Hospital for Sick Children, 2001                            **
**                                                                                 **
**   Distribution of substantively modified versions of this module is prohibited  **
**  without the explicit permission of the copyright holder.                       **
**                                                                                 **
**   Any use of this work or derivative works in whole or in part for any          **
**  commercial purpose or for monetary gain is prohibited.                         **
**                                                                                 **
**                                                                                 **
**                                   NO WARRANTY                                   **
**   This software package is provided 'as is' without warranty of any kind,       **
**  expressed or implied.                                                          **
**                                                                                 **
**                                                                                 **
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
\* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * */

/*
   COMPILATION
                gcc -O3 -Wall -lm -o read_ens read_ens.c
*/

#include "Include/ens.h"


enum toolsPrograms TP = __READ_ENS__;


int main(int argc, char *argv[])
{
    /***********************************************************\
    |*                                                         *|
    |*                                                         *|
    |*                  Variables declaration                  *|
    |*                                                         *|
    |*                                                         *|
    \***********************************************************/
    char type[4] = {'\0'};

    short nbDataTypes;
    unsigned short doubleSize;
    uint32_t nbConfs;
    unsigned long fileSize, expFileSize;

    FILE *ENSFile;

    /***********************************************************\
    |*                                                         *|
    |*                                                         *|
    |*              Reading the Energy file type               *|
    |*                                                         *|
    |*                                                         *|
    \***********************************************************/

    // Checking arguments
    if (argc < 2)
    {
        __USAGE__
    }

    // Attempting to open the specified file
    if ((ENSFile = fopen(argv[1], "rb")) == NULL)
        {
        fatal_error("NO_FILE", argv[1]);
    }

    // Size of the file
    fseek(ENSFile, 0, SEEK_END);
    fileSize = ftell(ENSFile);
    if (fileSize == 0)
    {
                error("EMPTY", argv[1]);
    }
    fseek(ENSFile, 0, SEEK_SET);        // Going back to the beginning of the file

    // File type
    fread(&type, CHAR_SIZE, 3, ENSFile);
    if (strcmp(type, "Ens"))
    {
        fatal_error("ENS_FILE", argv[1]);
    }

    // Size of a double data at the time it was recorded in the PERL script
    fread(&doubleSize, SHORT_SIZE, 1, ENSFile);
    if (doubleSize != sizeof(double))
    {
        fatal_error("The specified file has been generated on a different machine type.", NULL);
    }

    // Number of conformers
    fread(&nbConfs, INT32_SIZE, 1, ENSFile);

    // Number of data types
    fseek(ENSFile, nbConfs*INT32_SIZE+DOUBLE_SIZE, SEEK_CUR);    // Ignoring all selected conformers and the effective energy
    fread(&nbDataTypes, SHORT_SIZE, 1, ENSFile);
    if (!nbDataTypes)
    {
        printf ("The specified file does not contain any information.\n\n");
        exit(0);
    }

    // Checking the file size
    expFileSize = 3 * CHAR_SIZE + 2 * SHORT_SIZE + (nbConfs + 1) * INT32_SIZE + DOUBLE_SIZE + nbDataTypes * (SHORT_SIZE + 2 * DOUBLE_SIZE);
    if (expFileSize != fileSize)
    {
        fatal_error("CORR_FILE", argv[1]);
    }

    fseek(ENSFile, 3*CHAR_SIZE+SHORT_SIZE, SEEK_SET);
    displayReadConfs(ENSFile);
    displayReadNrg(ENSFile);

    return 0;
}