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Output performed with loggers. Adds options --no-print. (#12)

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Output performed with loggers.  Adds --quiet and --verbose options.
This commit is contained in:
Toni G
2016-04-29 08:21:35 +02:00
committed by Matvey Adzhigirey
parent ca6224433a
commit 5fbbdd4868
23 changed files with 4987 additions and 217 deletions
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18
Tests/pdb/1HPX-warn.pdb Normal file
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@@ -0,0 +1,18 @@
ATOM 1 N PRO A 1 12.435 14.677 30.369 1.00 35.93 N
ATOM 2 CA PRO A 1 11.739 15.379 29.269 1.00 34.94 C
ATOM 2 CA PRO A 1 11.739 15.379 29.269 1.00 34.94 C
ATOM 3 C PRO A 1 10.309 14.853 29.143 1.00 32.24 C
ATOM 4 O PRO A 1 10.035 13.743 29.578 1.00 32.11 O
ATOM 5 CB PRO A 1 12.566 15.121 27.988 1.00 34.34 C
ATOM 6 CG PRO A 1 13.973 14.970 28.518 1.00 35.36 C
ATOM 7 CD PRO A 1 13.768 14.261 29.859 1.00 35.14 C
ATOM 8 N GLN A 2 9.436 15.666 28.552 1.00 29.85 N
ATOM 9 CA GLN A 2 8.117 15.184 28.193 1.00 29.27 C
ATOM 10 C GLN A 2 7.939 15.392 26.711 1.00 28.61 C
ATOM 11 O GLN A 2 8.147 16.506 26.246 1.00 31.02 O
ATOM 12 CB GLN A 2 7.108 15.981 28.932 1.00 28.24 C
ATOM 13 CG GLN A 2 5.789 15.599 28.365 1.00 32.41 C
ATOM 14 CD GLN A 2 4.735 16.247 29.153 1.00 37.59 C
ATOM 15 OE1 GLN A 2 4.403 15.796 30.243 1.00 39.05 O
ATOM 16 NE2 GLN A 2 4.210 17.303 28.540 1.00 39.28 N
END

2327
Tests/pdb/3SGB-subset.pdb Normal file
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2327
Tests/pdb/3SGB.pdb Normal file
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1
Tests/results/1HPX-warn.dat Normal file
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@@ -0,0 +1 @@
7.95

2
Tests/results/3SGB-subset.dat Normal file
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@@ -0,0 +1,2 @@
3.51
12.80

57
Tests/results/3SGB.dat Normal file
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@@ -0,0 +1,57 @@
3.21
4.29
3.47
3.85
4.22
4.59
3.55
2.61
4.48
5.27
4.26
5.11
4.60
3.63
3.24
8.04
6.15
7.14
99.99
99.99
99.99
99.99
99.99
99.99
99.99
99.99
99.99
99.99
10.27
10.00
10.33
10.82
13.96
13.90
10.28
10.96
12.23
12.62
10.25
10.52
12.31
9.50
10.92
10.35
10.44
10.67
11.74
12.84
11.95
12.36
11.05
12.89
12.19
12.17
12.16
7.38
7.56

1
Tests/runtest.py
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@@ -17,6 +17,7 @@ if __name__ == "__main__":
('4DFR', []),
('3SGB', []),
('3SGB-subset', ['--titrate_only', 'E:17,E:18,E:19,E:29,E:44,E:45,E:46,E:118,E:119,E:120,E:139']),
('1HPX-warn', ['--quiet']),
]
for pdb, args in pdbs: