aboutsummaryrefslogtreecommitdiff
path: root/tests/partialator_merge_check_3
blob: 82b3b7876120a39b1577122dbf8dfd0b70bc9bc7 (plain)
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
#!/bin/sh

cat > partialator_merge_check_3.stream << EOF
CrystFEL stream format 2.1
Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn
----- Begin chunk -----
Image filename: dummy.h5
photon_energy_eV = 2000.0
--- Begin crystal
Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg
astar = -0.0283891 +0.0149254 -0.0257273 nm^-1
bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1
cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1
Reflections measured after indexing
  h   k   l          I    phase   sigma(I)  counts  fs/px  ss/px
  0   1   0     110.00        -       1.00       1  938.0  629.0
  2   0   0     190.00        -       1.00       1  938.0  629.0
End of reflections
--- End crystal
--- Begin crystal
Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg
astar = -0.0283891 +0.0149254 -0.0257273 nm^-1
bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1
cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1
Reflections measured after indexing
  h   k   l          I    phase   sigma(I)  counts  fs/px  ss/px
  1   0   0      50.00        -       1.00       1  938.0  629.0
  0   2   0     100.00        -       1.00       1  938.0  629.0
  0   1   1       1.00        -       1.00       1  938.0  629.0
End of reflections
--- End crystal
----- End chunk -----
EOF

# W
cat > partialator_merge_check_3_ans.hkl << EOF
  h   k   l          I    phase   sigma(I)  counts  fs/px  ss/px
  1   0   0      81.17        -       3.62       2    0.0    0.0
  2   0   0     144.36        -       2.04       2    0.0    0.0
End of reflections
EOF

cat > partialator_merge_check_3.beam << EOF
beam/fluence = 2.0e15
beam/radius = 1.5e-6
beam/photon_energy = 6000.0
beam/bandwidth = 0.0005
beam/divergence = 0.001
profile_radius = 0.005e9
EOF

cat > partialator_merge_check_3.geom << EOF
0/min_fs = 0
0/max_fs = 1023
0/min_ss = 0
0/max_ss = 1023
0/corner_x = -512.00
0/corner_y = -512.00
0/fs = x
0/ss = y
0/clen = 70.0e-3
0/res = 13333.3  ; 75 micron pixel size
0/badrow_direction = y
0/adu_per_eV = 1.0
EOF


src/partialator -i partialator_merge_check_3.stream \
                -o partialator_merge_check_3.hkl  \
                -g partialator_merge_check_3.geom \
                -b partialator_merge_check_3.beam \
                --model=unity --iterations=0 -y 4

diff partialator_merge_check_3.hkl partialator_merge_check_3_ans.hkl
if [ $? -ne 0 ]; then
	exit 1
fi
rm -f partialator_merge_check_3.stream partialator_merge_check_3.hkl \
      partialator_merge_check_3_ans.hkl partialator_merge_check_3.beam \
      partialator_merge_check_3.geom
exit 0