Author: bugman
Date: Fri Feb 1 13:08:27 2013
New Revision: 18349
URL: http://svn.gna.org/viewcvs/relax?rev=18349&view=rev
Log:
Created the Structure.test_bug_20470_alternate_location_indicator system test
to catch bug #20470.
This report is at https://gna.org/bugs/?20470.
Added:
trunk/test_suite/shared_data/structures/1OGT_trunc.pdb
Modified:
trunk/test_suite/system_tests/structure.py
Added: trunk/test_suite/shared_data/structures/1OGT_trunc.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/1OGT_trunc.pdb?rev=18349&view=auto
==============================================================================
--- trunk/test_suite/shared_data/structures/1OGT_trunc.pdb (added)
+++ trunk/test_suite/shared_data/structures/1OGT_trunc.pdb Fri Feb 1
13:08:27 2013
@@ -1,0 +1,50 @@
+ATOM 304 N SER A 38 5.453 11.163 -3.417 1.00 15.13
N
+ANISOU 304 N SER A 38 1457 1681 2609 163 983 573
N
+ATOM 305 CA SER A 38 4.481 11.896 -4.238 1.00 19.77
C
+ANISOU 305 CA SER A 38 1659 2841 3012 634 490 386
C
+ATOM 306 C SER A 38 4.567 13.401 -4.030 1.00 20.96
C
+ANISOU 306 C SER A 38 2301 2934 2728 240 809 332
C
+ATOM 307 O SER A 38 4.131 14.182 -4.882 1.00 24.49
O
+ANISOU 307 O SER A 38 2927 2417 3961 23 1192 1574
O
+ATOM 308 CB SER A 38 3.054 11.457 -3.907 1.00 17.78
C
+ANISOU 308 CB SER A 38 1547 2387 2820 809 52 807
C
+ATOM 309 OG SER A 38 2.729 11.754 -2.558 1.00 19.83
O
+ANISOU 309 OG SER A 38 2458 1782 3294 392 1050 932
O
+ATOM 310 N ASP A 39 5.091 13.804 -2.883 1.00 18.78
N
+ANISOU 310 N ASP A 39 2629 1557 2949 363 837 197
N
+ATOM 311 CA ASP A 39 5.106 15.234 -2.540 1.00 21.15
C
+ANISOU 311 CA ASP A 39 2854 1027 4153 148 586 517
C
+ATOM 312 C ASP A 39 6.427 15.919 -2.949 1.00 28.06
C
+ANISOU 312 C ASP A 39 2365 3095 5200 66 931 13
C
+ATOM 313 O ASP A 39 6.664 17.057 -2.596 1.00 37.63
O
+ANISOU 313 O ASP A 39 4630 3396 6270 -900 1580 138
O
+ATOM 314 CB ASP A 39 4.861 15.436 -1.045 1.00 24.05
C
+ANISOU 314 CB ASP A 39 3105 1809 4221 -140 248 80
C
+ATOM 315 CG ASP A 39 3.402 15.239 -0.637 1.00 23.65
C
+ANISOU 315 CG ASP A 39 2896 1925 4166 281 96 251
C
+ATOM 316 OD1 ASP A 39 2.523 14.912 -1.481 1.00 23.12
O
+ANISOU 316 OD1 ASP A 39 2074 3447 3262 68 871 82
O
+ATOM 317 OD2 ASP A 39 3.049 15.392 0.553 1.00 26.25
O
+ANISOU 317 OD2 ASP A 39 1829 3708 4435 -382 424 269
O
+ATOM 318 N AALA A 40 7.230 15.255 -3.774 0.50 31.59
N
+ANISOU 318 N AALA A 40 3086 4237 4677 -1131 1956 -291
N
+ATOM 319 CA AALA A 40 8.317 15.919 -4.505 0.50 26.87
C
+ANISOU 319 CA AALA A 40 2608 3365 4233 -1115 1074 -93
C
+ATOM 320 C AALA A 40 7.803 16.789 -5.662 0.50 32.10
C
+ANISOU 320 C AALA A 40 3412 3880 4901 -752 856 384
C
+ATOM 321 O AALA A 40 6.706 16.591 -6.173 0.50 30.52
O
+ANISOU 321 O AALA A 40 2665 3989 4941 -232 1367 1020
O
+ATOM 322 CB AALA A 40 9.301 14.882 -5.027 0.50 30.73
C
+ANISOU 322 CB AALA A 40 3195 4491 3988 -211 920 -92
C
+ATOM 323 N BALA A 40 7.329 15.149 -3.550 0.50 28.57
N
+ANISOU 323 N BALA A 40 2759 3548 4545 -244 1566 182
N
+ATOM 324 CA BALA A 40 8.553 15.687 -4.130 0.50 25.96
C
+ANISOU 324 CA BALA A 40 2187 3529 4148 -863 346 1
C
+ATOM 325 C BALA A 40 8.208 16.344 -5.462 0.50 31.77
C
+ANISOU 325 C BALA A 40 3974 3328 4770 -706 722 901
C
+ATOM 326 O BALA A 40 7.480 15.783 -6.277 0.50 35.10
O
+ANISOU 326 O BALA A 40 3989 4369 4977 -385 400 574
O
+ATOM 327 CB BALA A 40 9.580 14.569 -4.323 0.50 25.22
C
+ANISOU 327 CB BALA A 40 1648 4508 3424 -528 75 436
C
+TER 328 ALA A 40
+END
Modified: trunk/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=18349&r1=18348&r2=18349&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Fri Feb 1 13:08:27 2013
@@ -71,6 +71,18 @@
# Load the file.
self.interpreter.structure.read_pdb('1RTE_trunc.pdb', dir=path,
parser='scientific')
+
+
+ def test_bug_20470_alternate_location_indicator(self):
+ """Catch bug #20470 (https://gna.org/bugs/?20470), the alternate
location indicator problem."""
+
+ # Path of the structure file.
+ path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'structures'
+
+ # Load the file, load the spins, and attach the protons.
+ self.interpreter.structure.read_pdb('1OGT_trunc.pdb', dir=path)
+ self.interpreter.structure.load_spins(spin_id='@N', ave_pos=True)
+ self.interpreter.sequence.attach_protons()
def test_displacement(self):
r18349 - in /trunk/test_suite: shared_data/structures/1OGT_trunc.pdb system_tests/structure.py