4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
12 * Copyright (c) 1991-1999
13 * BIOSON Research Institute, Dept. of Biophysical Chemistry
14 * University of Groningen, The Netherlands
17 * GROMACS: A message-passing parallel molecular dynamics implementation
18 * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
19 * Comp. Phys. Comm. 91, 43-56 (1995)
21 * Also check out our WWW page:
22 * http://md.chem.rug.nl/~gmx
27 * Green Red Orange Magenta Azure Cyan Skyblue
33 static char *SRCID_typedefs_h = "$Id$";
46 #include <sys/types.h>
48 #include "types/simple.h"
49 #include "types/enums.h"
50 #include "types/block.h"
51 #include "types/symtab.h"
52 #include "types/idef.h"
53 #include "types/atoms.h"
54 #include "types/trx.h"
55 #include "types/topology.h"
56 #include "types/energy.h"
57 #include "types/inputrec.h"
58 #include "types/nsborder.h"
59 #include "types/ishift.h"
60 #include "types/graph.h"
61 #include "types/nrnb.h"
62 #include "types/nblist.h"
63 #include "types/nsgrid.h"
64 #include "types/commrec.h"
65 #include "types/forcerec.h"
66 #include "types/mdatom.h"
67 #include "types/ifunc.h"
68 #include "types/filenm.h"
69 #include "types/group.h"
70 #include "types/drblock.h"
71 #include "types/parm.h"
72 #include "types/matrix.h"
73 #include "types/edsams.h"
74 #include "types/pulls.h"
76 /* Functions to initiate and delete structures *
77 * These functions are defined in gmxlib/typedefs.c
79 extern void init_block(t_block *block);
80 extern void init_atom (t_atoms *at);
81 extern void init_top (t_topology *top);
82 extern void init_inputrec(t_inputrec *ir);
83 extern void done_block(t_block *block);
84 extern void done_atom (t_atoms *at);
85 extern void done_top(t_topology *top);
86 extern void done_inputrec(t_inputrec *ir);
88 extern void stupid_fill(t_block *grp, int natom,bool bOneIndexGroup);
89 /* Fill a block structure with numbers identical to the index
90 * (0, 1, 2, .. natom-1)
91 * If bOneIndexGroup, then all atoms are lumped in one index group,
92 * otherwise there is one atom per index entry
95 extern void init_t_atoms(t_atoms *atoms, int natoms, bool bPdbinfo);
96 /* allocate memory for the arrays, set nr to natoms and nres to 0
97 * set pdbinfo to NULL or allocate memory for it */
99 extern void free_t_atoms(t_atoms *atoms);
100 /* free all the arrays and set the nr and nres to 0 */
107 #endif /* _typedefs_h */