CopyPDBCoords.c

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/************************************************************************/
/**

   \file       CopyPDBCoords.c
   
   \version    V1.11
   \date       07.07.14
   \brief      PDB linked list manipulation
   
   \copyright  (c) UCL / Dr. Andrew C. R. Martin 1992-6
   \author     Dr. Andrew C. R. Martin
   \par
               Institute of Structural & Molecular Biology,
               University College London,
               Gower Street,
               London.
               WC1E 6BT.
   \par
               andrew@bioinf.org.uk
               andrew.martin@ucl.ac.uk
               
**************************************************************************

   This code is NOT IN THE PUBLIC DOMAIN, but it may be copied
   according to the conditions laid out in the accompanying file
   COPYING.DOC.

   The code may be modified as required, but any modifications must be
   documented so that the person responsible can be identified.

   The code may not be sold commercially or included as part of a 
   commercial product except as described in the file COPYING.DOC.

**************************************************************************

   Description:
   ============


**************************************************************************

   Usage:
   ======

**************************************************************************

   Revision History:
   =================
-  V1.0  22.02.94 Original release
-  V1.1  23.05.94 Added FindNextChainPDB()
-  V1.2  05.10.94 KillSidechain() uses BOOL rather than int
-  V1.3  24.07.95 Added TermPDB()
-  V1.4  25.07.95 Added GetPDBChainLabels()
-  V1.5  26.09.95 Fixed bug in TermPDB()
-  V1.6  12.10.95 Added DupePDB(), CopyPDBCoords()
-  V1.7  23.10.95 Moved FindResidueSpec() to ParseRes.c
-  V1.8  10.01.96 Added ExtractZonePDB()
-  V1.9  14.03.96 Added FindAtomInRes()
-  V1.10 08.10.99 Initialised some variables
-  V1.11 07.07.14 Use bl prefix for functions By: CTP

*************************************************************************/
/* Doxygen
   -------
   #GROUP    Handling PDB Data
   #SUBGROUP blCopyPDBCoords()
   Applies the coordinates of one PDB linked list to another.
   Assumes that the structures
   are equivalent with identical atom ordering. Makes a simple check on
   resnam and atnam at each position.
*/
/************************************************************************/
/* Includes
*/
#include <math.h>
#include <stdlib.h>

#include "MathType.h"
#include "SysDefs.h"
#include "pdb.h"
#include "macros.h"
#include "general.h"

/************************************************************************/
/* Defines and macros
*/

/************************************************************************/
/* Globals
*/

/************************************************************************/
/* Prototypes
*/

/************************************************************************/
/*>BOOL blCopyPDBCoords(PDB *out, PDB *in)
   ---------------------------------------
*//**

   \param[in]     *in      Input PDB linked list
   \param[out]    *out     Output PDB linked list
   \return                 Success?

   Applies the coordinates of `in' to `out'. Assumes that the structures
   are equivalent with identical atom ordering. Makes a simple check on
   resnam and atnam at each position.

-  11.10.95 Original   By: ACRM
-  07.07.14 Use bl prefix for functions By: CTP
*/
BOOL blCopyPDBCoords(PDB *out, PDB *in)
{
   PDB *p, *q;
   
   for(p=in, q=out; p!=NULL && q!=NULL; NEXT(p), NEXT(q))
   {
      if(strncmp(p->atnam,  q->atnam,  4) ||
         strncmp(p->resnam, q->resnam, 4))
         return(FALSE);
      
      q->x = p->x;
      q->y = p->y;
      q->z = p->z;
   }

   if(p!=NULL || q!=NULL)
      return(FALSE);
   
   return(TRUE);
}