1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
|
/*
Copyright (C) 1998, 1999, 2001, 2005 Matthew P. Hodges
This file is part of XMakemol.
XMakemol is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2, or (at your option)
any later version.
XMakemol is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with XMakemol; see the file COPYING. If not, write to the Free Software
Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
*/
#ifdef HAVE_CONFIG_H
#include "config.h"
#endif
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#include <Xm/Xm.h>
#include "globals.h"
void
sort_atoms(void)
{
int compare_sorted_atoms(const void *, const void *);
if(atoms_sorted==1){ /* don't need to resort */
return;
}
qsort(sorted_atoms, no_atoms, sizeof(int), compare_sorted_atoms);
}
int
compare_sorted_atoms(const void *p, const void *q)
{
if( (atoms[*((int *) p)].z - atoms[*((int *) q)].z) > 0.0){
return 1;
}else{
return -1;
}
}
|
