/* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *\
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
**                                                                                 **
**                                                                                 **
**                                                       **                        **
**                                                       **                        **
**                       *********                       **                        **
**        **********    **********    ***        ***     **                        **
**        **********    **            ****      ****     **      **********        **
**        **            **            **  **  **  **     **      **********        **
**        **            ********      **  **  **  **     **      **                **
**        ******         ********     **    **    **     **      **                **
**        ******               ***    **    **    **     **************            **
**        **     ***     **    **********         **     **************            **
**        **     ***    *****************        ********        **                **
**        ***********   *********     **         *********       **                **
**        ***********    **    **     **         ***    **       **********        **
**               **  **  **    ******            **     **       **********        **
**               **  **  **    ******            ********                          **
**               **    * **    **                *********                         **
**               **    * **    **                **      **                        **
**               **     ***    **********        **      **                        **
**               **     ***    **********        **********                        **
**                                               *********                         **
**                                                                                 **
**                                                                                 **
**                          E N S E M B L E     T O O L S                          **
**                                                                                 **
**                                   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.                                                          **
**                                                                                 **
**                                                                                 **
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
\* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * */

#ifndef __FILENSCHK_HEADER__
#define __FILENSCHK_HEADER__


FILE *checkCSPFile(char *fileName, uint32_t *nbConfs, uint32_t *nbAtoms)
{
	/*
	   This functions checks out a CSP file and
	   returns the file handler of the opened file
	*/

	FILE *fileHandler = NULL;
	unsigned long fileSize, expFileSize;
	char fileType[4] = {"\0"};

	// Check out the existence the the origin file
	if ((fileHandler = fopen(fileName, "rb")) == NULL)
	{
		error("NO_FILE", fileName);
		return NULL;
	}

	// Checking whether it is a CSP file
	fread(&fileType, CHAR_SIZE, 3, fileHandler);
	if (strcmp(fileType, "Csp"))
	{
		fclose(fileHandler);
		error("CSP_FILE", fileName);
		return NULL;
	}

	// Reading the number of conformers and atoms
	fread(nbConfs, INT32_SIZE, 1, fileHandler);
	fread(nbAtoms, INT32_SIZE, 1, fileHandler);

	// Determining the size of the file
	// and comparing it with the expected size
	fseek(fileHandler, 0, SEEK_END);
	fileSize = ftell(fileHandler);				// !! Not more than 4 Gb !!
	if (!fileSize)
	{
		fclose(fileHandler);
		fatal_error("EMPTY", fileName);
	}

	expFileSize = (unsigned long)((3 + 27 * (*nbAtoms)) * CHAR_SIZE + (2 + 3 * (*nbConfs) * (*nbAtoms)) * INT32_SIZE);
	if (fileSize != expFileSize)
	{
		printf ("%s is a corrupted List file (Expected size = %lu; Real size = %lu)!\n", fileName, expFileSize, fileSize);
		fclose(fileHandler);
		return NULL;
	}

	fseek(fileHandler, 0, SEEK_SET);

	return fileHandler;
}


int getConfListNb (confList *confNbsList, char *ENSFileName)
{
	counter confNb;

	char fileType[4] = {'\0'};

	FILE *ENSFile;

	if ((ENSFile = fopen(ENSFileName, "rb")) == NULL) return 1;

	// Checking the file type
	fread(&fileType, CHAR_SIZE, 3, ENSFile);
	if (strcmp(fileType, "Ens")) fatal_error("ENS_FILE", ENSFileName);

	// Size of a double data
	fread(&DOUBLE_SIZE, SHORT_SIZE, 1, ENSFile);
	if (DOUBLE_SIZE != sizeof(double))
	{
		warning("%s is an Ensemble file type generated on a different machine type!", ENSFileName);
		return 1;
	}

	// Number of conformers
	fread(&(*confNbsList).nb, INT32_SIZE, 1, ENSFile);

	if (((*confNbsList).confNb = malloc((*confNbsList).nb * INT32_SIZE)) == NULL)
	{
		warning("A problem occured while attempting to instance confListNb variable", NULL);
		return 1;
	}

	for (confNb=0; confNb<(*confNbsList).nb; confNb++)
	{
		fread(&(*confNbsList).confNb[confNb], INT32_SIZE, 1, ENSFile);
	}

	// Closing the ENSEMBLE file
	fclose(ENSFile);

	return 0;
}


#endif