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
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
|
/*
A* -------------------------------------------------------------------
B* This file contains source code for the PyMOL computer program
C* Copyright (c) Schrodinger, LLC.
D* -------------------------------------------------------------------
E* It is unlawful to modify or remove this copyright notice.
F* -------------------------------------------------------------------
G* Please see the accompanying LICENSE file for further information.
H* -------------------------------------------------------------------
I* Additional authors of this source file include:
-*
-*
-*
Z* -------------------------------------------------------------------
*/
#ifndef _H_Map
#define _H_Map
/* Map - a 3-D hash object for optimizing neighbor searches */
#include"Vector.h"
#include"PyMOLGlobals.h"
typedef struct {
PyMOLGlobals *G;
float Div;
float recipDiv;
Vector3i Dim;
int D1D2;
Vector3i iMin, iMax;
int *Head, *Link;
int *EHead, *EList, *EMask;
int NVert;
int NEElem;
Vector3f Max, Min;
int group_id;
int block_base;
} MapType;
typedef struct {
PyMOLGlobals *G;
int *Cache, *CacheLink, CacheStart;
int block_base;
} MapCache;
#define MapBorder 2
MapType *MapNew(PyMOLGlobals * G, float range, float *vert, int nVert, float *extent);
MapType *MapNewCached(PyMOLGlobals * G, float range, float *vert, int nVert,
float *extent, int group_id, int block_id);
MapType *MapNewFlagged(PyMOLGlobals * G, float range, float *vert, int nVert,
float *extent, int *flag);
int MapSetupExpress(MapType * I);
int MapSetupExpressPerp(MapType * I, float *vert, float front, int nVertHint,
int negative_start, int *spanner);
void MapFree(MapType * I);
#define MapFirst(m,a,b,c) (m->Head + ((a) * m->D1D2) + ((b)*m->Dim[2]) + (c))
#define MapEStart(m,a,b,c) (m->EHead + ((a) * m->D1D2) + ((b)*m->Dim[2]) + (c))
#define MapNext(m,a) (*(m->Link+(a)))
void MapLocus(MapType * map, float *v, int *a, int *b, int *c);
int *MapLocusEStart(MapType * map, float *v);
int MapExclLocus(MapType * map, float *v, int *a, int *b, int *c);
#define MapCache(m,a) {(m)->Cache[a]=1;(m)->CacheLink[a]=(m)->CacheStart;(m)->CacheStart=a;}
#define MapCached(m,a) ((m)->Cache[a])
int MapCacheInit(MapCache * M, MapType * I, int group_id, int block_base);
void MapCacheReset(MapCache * M);
void MapCacheFree(MapCache * M, int group_id, int block_base);
float MapGetSeparation(PyMOLGlobals * G, float range, float *mx, float *mn,
float *diagonal);
float MapGetDiv(MapType * I);
/* special routines for raytracing */
int MapInside(MapType * I, float *v, int *a, int *b, int *c);
int MapInsideXY(MapType * I, float *v, int *a, int *b, int *c);
int MapSetupExpressXY(MapType * I, int n_vert, int negative_start);
int MapSetupExpressXYVert(MapType * I, float *vert, int n_vert, int negative_start);
#endif
|
