InPDBZoneSpec.c

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

   \file       InPDBZoneSpec.c
   
   \version    V1.5
   \date       07.07.14
   \brief      
   
   \copyright  (c) UCL / Dr. Andrew C. R. Martin 1993-2014
   \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  30.09.92 Original
-  V1.1  16.06.93 Tidied for book. Mode now a char.
-  V1.2  18.06.96 Added InPDBZone() from QTree program
-  V1.3  19.09.96 Added InPDBZoneSpec()
-  V1.4  24.02.14 InPDBZoneSpec() handles multi-letter chain id. By: CTP
-  V1.5  07.07.14 Use bl prefix for functions By: CTP

*************************************************************************/
/* Doxygen
   -------
   #GROUP    Handling PDB Data
   #SUBGROUP Searching the PDB linked list
   #FUNCTION  blInPDBZoneSpec()
   Determines whether a PDB pointer is within a residue range specified
   using standard format: [c]nnn[i] or within a specified chain
*/
/************************************************************************/
/* Includes
*/
#include "SysDefs.h"
#include "pdb.h"
#include "macros.h"

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

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

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


/************************************************************************/
/*>BOOL blInPDBZoneSpec(PDB *p, char *resspec1, char *resspec2)
   ------------------------------------------------------------
*//**

   \param[in]     *p         Pointer to a PDB record
   \param[in]     *resspec1  Res spec for first residue
   \param[in]     *resspec2  Res spec for last residue
   \return                      Is p in the range specified?

   Determines whether a PDB pointer is within a residue range specified
   using standard format: [c]nnn[i]

   Also handles the residue spec of c* (i.e. chain name and a * to
   indicate all residues in a given chain). This must be given as
   resspec1 (resspec2 is then ignored).

   Calls InPDBZone() to do the actual work

-  19.09.96 Original  By: ACRM
-  24.02.14 Uses string for chain and insert instead of char.
            Wildcard match for multi-letter chain id. 
            Now calls BiopInPDBZone(). By: CTP
-  07.07.14 Use bl prefix for functions By: CTP

*/
BOOL blInPDBZoneSpec(PDB *p, char *resspec1, char *resspec2)
{
   char chain1[8],  chain2[8],
        insert1[8], insert2[8];
   int  res1, res2, i;

   /* Check for wildcard specification of whole chain                   */
   for(i=0; i < strlen(resspec1) && i < 8; i++)
   {
      if(resspec1[i] == '*') 
      {
         /*                                           wildcard found    */
         if(i == 0)
         {
            /*                                        resspec1 == "*"   */
            return(CHAINMATCH(p->chain," ")); 
         }
         else if(i > 0 && resspec1[i-1] == '.')
         {
            /*                                        resspec1 == "c.*" */
            return(!strncmp(p->chain,resspec1,i-1));
         }
         else
         {
            /*                                        resspec1 == "c*"  */
            return(!strncmp(p->chain,resspec1,i));
         }
      }
   }
   
   
   blParseResSpec(resspec1, chain1, &res1, insert1);
   blParseResSpec(resspec2, chain2, &res2, insert2);

   if(!CHAINMATCH(chain1,chain2))
      return(FALSE);

   return(blInPDBZone(p, chain1, res1, insert1, res2, insert2));
}