-
Notifications
You must be signed in to change notification settings - Fork 1
/
p_sheet.c
100 lines (78 loc) · 2.91 KB
/
p_sheet.c
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
96
97
98
99
100
#include "stride.h"
int Process_SHEET(BUFFER Buffer, CHAIN **Chain, int *ChainNumber, COMMAND *Cmd)
{
int CC, SC, STC;
char *Field[MAX_FIELD];
BUFFER Tmp;
static char PreviousChain, PreviousSheetId[RES_FIELD];
if( Cmd->NActive && !ChInStr(Cmd->Active,SpaceToDash(Buffer[21])) )
return(SUCCESS);
for( CC=0; CC < *ChainNumber && Chain[CC]->Id != Buffer[21]; CC++ );
if( CC == *ChainNumber ) {
InitChain(&Chain[CC]);
Chain[CC]->Id = Buffer[21];
(*ChainNumber)++;
}
if( Chain[CC]->NSheet == -1 ) {
PreviousChain = '*';
strcpy(PreviousSheetId,"*");
}
SplitString(Buffer+7,Field,2);
if( atoi(Field[0]) == 1 || Buffer[21] != PreviousChain ) {
if( Buffer[21] == PreviousChain && !strcmp(PreviousSheetId,Field[1]) )
return(FAILURE);
/* die("Here it is! -> %s%c\n", Chain[CC]->File,Chain[CC]->Id);*/
Chain[CC]->NSheet++;
SC = Chain[CC]->NSheet;
Chain[CC]->Sheet[SC] = (SHEET *)ckalloc(sizeof(SHEET));
Chain[CC]->Sheet[SC]->NStrand = 0;
STC = Chain[CC]->Sheet[SC]->NStrand;
strcpy(Chain[CC]->Sheet[SC]->SheetId,Field[1]);
}
else
{
SC = Chain[CC]->NSheet;
STC = Chain[CC]->Sheet[SC]->NStrand;
}
SplitString(Buffer+17,Field,1);
strcpy(Chain[CC]->Sheet[SC]->ResType1[STC],Field[0]);
SplitString(Buffer+28,Field,1);
strcpy(Chain[CC]->Sheet[SC]->ResType2[STC],Field[0]);
strcpy(Tmp,Buffer);
Tmp[27] = ' ';
Tmp[38] = ' ';
SplitString(Tmp+22,Field,1);
strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumb1[STC],Field[0]);
SplitString(Tmp+33,Field,1);
strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumb2[STC],Field[0]);
Chain[CC]->Sheet[SC]->InsCode1[STC] = Buffer[26];
Chain[CC]->Sheet[SC]->InsCode2[STC] = Buffer[37];
SplitString(Buffer+38,Field,1);
Chain[CC]->Sheet[SC]->Sence[STC] = atoi(Field[0]);
if( Buffer[45] != ' ' ) {
Chain[CC]->Sheet[SC]->RegYN[STC] = 1;
SplitString(Buffer+45,Field,1);
strcpy(Chain[CC]->Sheet[SC]->ResTypeReg1[STC],Field[0]);
SplitString(Buffer+60,Field,1);
strcpy(Chain[CC]->Sheet[SC]->ResTypeReg2[STC],Field[0]);
Tmp[55] = ' ';
Tmp[70] = ' ';
SplitString(Tmp+50,Field,1);
strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumbReg1[STC],Field[0]);
SplitString(Tmp+66,Field,1);
strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumbReg2[STC],Field[0]);
Chain[CC]->Sheet[SC]->InsCodeReg1[STC] = Buffer[54];
Chain[CC]->Sheet[SC]->InsCodeReg2[STC] = Buffer[69];
Tmp[45] = ' ';
Tmp[60] = ' ';
SplitString(Tmp+41,Field,1);
strcpy(Chain[CC]->Sheet[SC]->AtomNameReg1[STC],Field[0]);
SplitString(Tmp+56,Field,1);
strcpy(Chain[CC]->Sheet[SC]->AtomNameReg2[STC],Field[0]);
}
else Chain[CC]->Sheet[SC]->RegYN[STC] = 0;
strcpy(PreviousSheetId,Chain[CC]->Sheet[SC]->SheetId);
PreviousChain = Buffer[21];
Chain[CC]->Sheet[SC]->NStrand++;
return(SUCCESS);
}