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
101
102
103
104
|
SUBROUTINE PROCES (X)
C
INTEGER AXES,AXIS,GP,PRJECT
REAL X(3,1),XMIN(3),XMAX(3),MIN,MAX
DOUBLE PRECISION SUM,V(3)
COMMON /CONDAS/ CONSTS(5)
COMMON /BLANK / SKPCOM(5),NGPSET
COMMON /XXPARM/ PBUFSZ,PLOTER(5),PENPAP(30),SCALE(5),AXES(6),
1 ALPHA,BETA,GAMMA,BETA13,BETA2,VIEW(4),
2 VANPUT(8),PRJECT
COMMON /RSTXXX/ CSTM(3,3),MIN(3),MAX(3),D(3),AVER(3),
1 AXIS(3),SIGN(3)
COMMON /DRWAXS/ G(3,3)
EQUIVALENCE (CONSTS(3),RAD)
C
C INITIALIZATION.
C
DO 10 I = 1,3
AXIS(I) = IABS(AXES(I))
SIGN(I) = 1.
IF (AXES(I) .LT. 0) SIGN(I) = -1.
MIN(I) = +1.E+20
MAX(I) = -1.E+20
IF (PRJECT .NE. 3) GO TO 10
XMIN(I) = +1.E+20
XMAX(I) = -1.E+20
10 CONTINUE
C
C CALCULATE THE CO-ORDINATE SYSTEM ROTATION MATRIX.
C
IF (BETA .GT. -1.E+10) GO TO 20
IF (PRJECT .NE. 2) BETA = BETA13
IF (PRJECT .EQ. 2) BETA = BETA2
20 SINA = SIN(ALPHA/RAD)
SINB = SIN(BETA /RAD)
SING = SIN(GAMMA/RAD)
COSA = COS(ALPHA/RAD)
COSB = COS(BETA /RAD)
COSG = COS(GAMMA/RAD)
C
CSTM(1,1) = COSB*COSG
CSTM(2,1) = COSA*SING + SINA*SINB*COSG
CSTM(3,1) = SINA*SING - COSA*SINB*COSG
CSTM(1,2) =-COSB*SING
CSTM(2,2) = COSA*COSG - SINA*SINB*SING
CSTM(3,2) = SINA*COSG + COSA*SINB*SING
CSTM(1,3) = SINB
CSTM(2,3) =-SINA*COSB
CSTM(3,3) = COSA*COSB
C
C SWITCH AXES + ROTATE THE GRID POINT CO-ORDINATES.
C
DO 60 GP = 1,NGPSET
DO 30 I = 1,3
J = AXIS(I)
V(I) = SIGN(I)*X(J,GP)
IF (PRJECT .NE. 3) GO TO 30
VAL = V(I)
XMIN(I) = AMIN1(XMIN(I),VAL)
XMAX(I) = AMAX1(XMAX(I),VAL)
30 CONTINUE
DO 50 J = 1,3
SUM = 0.D0
DO 40 I = 1,3
SUM = SUM + CSTM(J,I)*V(I)
40 CONTINUE
VAL = SUM
X(J,GP) = VAL
MIN(J) = AMIN1(MIN(J),VAL)
MAX(J) = AMAX1(MAX(J),VAL)
50 CONTINUE
60 CONTINUE
C
C CALCULATE THE MINIMA-MAXIMA DIFFERENCES + AVERAGES.
C
DO 70 I = 1,3
IF (PRJECT .NE. 3) D(I) = MAX(I) - MIN(I)
IF (PRJECT .EQ. 3) D(I) = XMAX(I) - XMIN(I)
AVER(I) = (MAX(I)+MIN(I))/2.
70 CONTINUE
C
C CREATE A X-Y-Z UNIT COORDINATES IN /DRWAXS/ FOR VIEW PLOTTING
C
DO 90 I = 1,9
90 G(I,1) = 0.0
G(1,1) = 1.0
G(2,2) = 1.0
G(3,3) = 1.0
C
DO 130 GP = 1,3
DO 100 I = 1,3
J = AXIS(I)
V(I) = SIGN(I)*G(J,GP)
100 CONTINUE
DO 120 J = 1,3
SUM = 0.D0
DO 110 I = 1,3
SUM = SUM + CSTM(J,I)*V(I)
110 CONTINUE
120 G(J,GP) = SUM
130 CONTINUE
C
RETURN
END
|
