/* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *\
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**        **            ********      **  **  **  **     **      **                **
**        ******         ********     **    **    **     **      **                **
**        ******               ***    **    **    **     **************            **
**        **     ***     **    **********         **     **************            **
**        **     ***    *****************        ********        **                **
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**               **  **  **    ******            **     **       **********        **
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**                                                                                 **
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**                          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 __NRG_HEADER__
#define __NRG_HEADER__


void displayReadNrg(FILE *ENSFile)
{
	/*
	   From the file ENSFile, this funtion reads and displays information
	   found in the block that contains:
	       1. Total Effective Energy
	       2. Total ENSEMBLE Score
	       3. The number of data types (modules)
	           a. Module code
	           b. Effective Energy
	           c. Target
	*/

	counter dataTypeNb;

	char *dataCodeTab[19] = {"SHIFTX", "SHIFTX_CA", "SHIFTX_CB", "SHIFTX_C", "SHIFTX_N", "SHIFTX_HA", "SHIFTX_H",\
	                         "SAXS", "MRDC", "J", "NOE", "PRE", "R2", "HYDRO", "RPRE", "ACCESS", "ACCESS_0", "ACCESS_1", "ACCESS_2"};
	char displayEnergy[2000];
	char modDisplay[66];

	short dataCode;
	short nbDataTypes;
	double effEnergy;
	double modEffEnergy;
	double targetNrg;

	// Total effective energy
	fread(&effEnergy, DOUBLE_SIZE, 1, ENSFile);

	// Number of data types (modules)
	fread(&nbDataTypes, SHORT_SIZE, 1, ENSFile);

	// Information about each data type
	strcpy(displayEnergy, "\n          Module         Energy         Target    \n");
	strcat(displayEnergy, "         ===========================================\n");

	for (dataTypeNb=0; dataTypeNb<nbDataTypes; dataTypeNb++)
	{
		fread(&dataCode, SHORT_SIZE, 1, ENSFile);
		fread(&modEffEnergy, DOUBLE_SIZE, 1, ENSFile);
		fread(&targetNrg, DOUBLE_SIZE, 1, ENSFile);
		
		sprintf(modDisplay, "          %-11s    %-10g     %-10g\n", dataCodeTab[dataCode], modEffEnergy, targetNrg);
		strcat(displayEnergy, modDisplay);
	}
	strcat(displayEnergy, "         ===========================================\n          TOTAL ");
	sprintf(modDisplay, "         %-10g\n\n", effEnergy);
	strcat(displayEnergy, modDisplay);

	printf ("%s", displayEnergy);
}


void displayReadConfs(FILE *ENSFile)
{
	counter confNb;
	uint32_t readConfNb, nbConfs;

	fread(&nbConfs, INT32_SIZE, 1, ENSFile);
	printf ("\n%u conformers: ", nbConfs);

	for (confNb=0; confNb<nbConfs; confNb++)
	{
		fread(&readConfNb, INT32_SIZE, 1, ENSFile);
		printf ("%u ", readConfNb);
	}

	printf ("\n");
}

#endif