1
/* Copyright (C) 2000 Damir Zucic */
3
/*=============================================================================
8
Refresh the content of docking window.
11
(1) Pointer to RuntimeS structure.
12
(2) Pointer to GUIS structure.
15
(1) The content of docking window refreshed.
19
(1) Positive always (trivial).
22
(1) The index of exposed atom is of the type int, though size_t
23
is used elsewhere. The reason is that int may have negative
24
value, while size_t is unsigned on many systems. Negative
25
values are used to signal that data stored to a given box
28
========includes:============================================================*/
33
#include <X11/Xutil.h>
35
#include <X11/Xatom.h>
40
/*======function prototypes:=================================================*/
42
int DockingProject_ (RuntimeS *, int);
43
int ListExposedPolarResidues_ (RuntimeS *, int);
44
int RepresentativeAtoms_ (RuntimeS *, int);
45
int ExcludeDistant_ (RuntimeS *, int);
46
int DrawBottom_ (GUIS *, RuntimeS *);
47
int DrawTop_ (GUIS *, RuntimeS *);
49
/*======refresh docking window:==============================================*/
51
int DockingRefresh_ (RuntimeS *runtimeSP, GUIS *guiSP)
54
/* Prepare orthogonal projections: */
55
DockingProject_ (runtimeSP, 1);
56
DockingProject_ (runtimeSP, 2);
58
/* Prepare two lists of exposed polar residues. Each */
59
/* residue may be found more than once in docking matrix: */
60
ListExposedPolarResidues_ (runtimeSP, 1);
61
ListExposedPolarResidues_ (runtimeSP, 2);
63
/* Find representative atoms: */
64
RepresentativeAtoms_ (runtimeSP, 1);
65
RepresentativeAtoms_ (runtimeSP, 2);
67
/* Exclude residues which are below the plane: */
68
ExcludeDistant_ (runtimeSP, 1);
69
ExcludeDistant_ (runtimeSP, 2);
72
DrawBottom_ (guiSP, runtimeSP);
73
DrawTop_ (guiSP, runtimeSP);
75
/* Return positive value: */
79
/*===========================================================================*/