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FindNextChainPDB.c
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1 /************************************************************************/
2 /**
3 
4  \file FindNextChainPDB.c
5 
6  \version V1.12
7  \date 07.07.14
8  \brief PDB linked list manipulation
9 
10  \copyright (c) UCL / Dr. Andrew C. R. Martin 1992-2014
11  \author Dr. Andrew C. R. Martin
12  \par
13  Institute of Structural & Molecular Biology,
14  University College London,
15  Gower Street,
16  London.
17  WC1E 6BT.
18  \par
19  andrew@bioinf.org.uk
20  andrew.martin@ucl.ac.uk
21 
22 **************************************************************************
23 
24  This code is NOT IN THE PUBLIC DOMAIN, but it may be copied
25  according to the conditions laid out in the accompanying file
26  COPYING.DOC.
27 
28  The code may be modified as required, but any modifications must be
29  documented so that the person responsible can be identified.
30 
31  The code may not be sold commercially or included as part of a
32  commercial product except as described in the file COPYING.DOC.
33 
34 **************************************************************************
35 
36  Description:
37  ============
38 
39 
40 **************************************************************************
41 
42  Usage:
43  ======
44 
45 **************************************************************************
46 
47  Revision History:
48  =================
49 - V1.0 22.02.94 Original release
50 - V1.1 23.05.94 Added FindNextChainPDB()
51 - V1.2 05.10.94 KillSidechain() uses BOOL rather than int
52 - V1.3 24.07.95 Added TermPDB()
53 - V1.4 25.07.95 Added GetPDBChainLabels()
54 - V1.5 26.09.95 Fixed bug in TermPDB()
55 - V1.6 12.10.95 Added DupePDB(), CopyPDBCoords()
56 - V1.7 23.10.95 Moved FindResidueSpec() to ParseRes.c
57 - V1.8 10.01.96 Added ExtractZonePDB()
58 - V1.9 14.03.96 Added FindAtomInRes()
59 - V1.10 08.10.99 Initialised some variables
60 - V1.11 04.02.14 Use CHAINMATCH By: CTP
61 - V1.12 07.07.14 Use bl prefix for functions By: CTP
62 *************************************************************************/
63 /* Doxygen
64  -------
65  #GROUP Handling PDB Data
66  #SUBGROUP Searching the PDB linked list
67  #FUNCTION blFindNextChainPDB()
68  Terminates the linked list at the end of the current chain and
69  returns a pointer to the start of the next chain. See blFindNextChain()
70  for a routine which does not terminate the linked list.
71 */
72 /************************************************************************/
73 /* Includes
74 */
75 #include <math.h>
76 #include <stdlib.h>
77 
78 #include "MathType.h"
79 #include "SysDefs.h"
80 #include "pdb.h"
81 #include "macros.h"
82 #include "general.h"
83 
84 /************************************************************************/
85 /* Defines and macros
86 */
87 
88 /************************************************************************/
89 /* Globals
90 */
91 
92 /************************************************************************/
93 /* Prototypes
94 */
95 
96 /************************************************************************/
97 /*>PDB *blFindNextChainPDB(PDB *pdb)
98  ---------------------------------
99 *//**
100 
101  \param[in,out] *pdb PDB linked list
102  \return Pointer to start of next chain in linked list
103 
104  Terminates the linked list at the end of the current chain and
105  returns a pointer to the start of the next chain. See blFindNextChain()
106  for a routine which does not terminate the linked list.
107 
108 - 23.05.94 Original By: ACRM
109 - 04.02.14 Use CHAINMATCH By: CTP
110 - 07.07.14 Use bl prefix for functions By: CTP
111 */
113 {
114  PDB *p, *ret = NULL;
115 
116  for(p=pdb; p!=NULL; NEXT(p))
117  {
118  if((p->next == NULL) || !CHAINMATCH(p->next->chain,pdb->chain))
119  {
120  ret = p->next;
121  p->next = NULL;
122  break;
123  }
124  }
125 
126  return(ret);
127 }
128 
129 
Include file for PDB routines.
#define NULL
Definition: array2.c:99
Definition: pdb.h:298
#define NEXT(x)
Definition: macros.h:249
Useful macros.
PDB * blFindNextChainPDB(PDB *pdb)
Header file for general purpose routines.
#define CHAINMATCH(chain1, chain2)
Definition: pdb.h:495
System-type variable type definitions.
Type definitions for maths.
struct pdb_entry * next
Definition: pdb.h:307
char chain[blMAXCHAINLABEL]
Definition: pdb.h:321