Author: bugman
Date: Wed Nov 25 18:09:04 2015
New Revision: 28096
URL: http://svn.gna.org/viewcvs/relax?rev=28096&view=rev
Log:
Updates to the Noe and Structure system test classes for the internal
structural object changes.
The serial number can now be reset, and the chain ID information is no longer
stored.
Modified:
trunk/test_suite/system_tests/noe.py
trunk/test_suite/system_tests/structure.py
Modified: trunk/test_suite/system_tests/noe.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/noe.py?rev=28096&r1=28095&r2=28096&view=diff
==============================================================================
--- trunk/test_suite/system_tests/noe.py (original)
+++ trunk/test_suite/system_tests/noe.py Wed Nov 25 18:09:04 2015
@@ -63,9 +63,9 @@
"# Parameter description: The steady-state NOE value.\n",
"#\n",
"# mol_name res_num res_name spin_num spin_name
value error \n",
- "2AT7_fmf 12 PHE 150 N
0.803029108487728 0.0199040298831904 \n",
- "2AT7_fmf 13 ASN 170 N
0.829415981681132 0.0339996453012768 \n",
- "2AT7_fmf 14 LYS 184 N
0.755789564728523 0.0250941717735858 \n"
+ "2AT7_fmf 12 PHE 1 N
0.803029108487728 0.0199040298831904 \n",
+ "2AT7_fmf 13 ASN 21 N
0.829415981681132 0.0339996453012768 \n",
+ "2AT7_fmf 14 LYS 35 N
0.755789564728523 0.0250941717735858 \n"
]
# Printout of the real and generated data.
Modified: trunk/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=28096&r1=28095&r2=28096&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Wed Nov 25 18:09:04 2015
@@ -3771,7 +3771,6 @@
# The real atomic data.
atom_name = ['N', 'CA', '1HA', '2HA', 'C', 'O', '1HT', '2HT', '3HT',
'N', 'CD', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', '1HG', '2HG', '1HD', '2HD',
'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', 'HG', 'CD1',
'1HD1', '2HD1', '3HD1', 'CD2', '1HD2', '2HD2', '3HD2', 'C', 'O', 'N', 'H',
'CA', '1HA', '2HA', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'OG',
'HG', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG', '1HG', '2HG',
'SD', 'CE', '1HE', '2HE', '3HE', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB',
'2HB', 'CG', 'OD1', 'OD2', 'C', 'O', 'N', 'H', 'CA', 'HA', 'CB', '1HB',
'2HB', 'OG', 'HG', 'C', 'O', 'N', 'CD', 'CA', 'HA', 'CB', '1HB', '2HB', 'CG',
'1HG', '2HG', '1HD', '2HD', 'C', 'O', 'N', 'CD', 'CA', 'HA', 'CB', '1HB',
'2HB', 'CG', '1HG', '2HG', '1HD', '2HD', 'C', 'O', 'N', 'H', 'CA', 'HA',
'CB', '1HB', '2HB', 'CG', '1HG', '2HG', 'CD', 'OE1', 'OE2', 'C', 'O', 'N',
'H', 'CA', '1HA', '2HA', 'C', 'O']
bonded = [[]]*174
- chain_id = [None]*174
element = ['N', 'C', 'H', 'H', 'C', 'O', 'H', 'H', 'H', 'N', 'C',
'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'H', 'H', 'C', 'O', 'N', 'H', 'C',
'H', 'C', 'H', 'H', 'C', 'H', 'C', 'H', 'H', 'H', 'C', 'H', 'H', 'H', 'C',
'O', 'N', 'H', 'C', 'H', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H',
'O', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'S',
'C', 'H', 'H', 'H', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'C', 'O',
'O', 'C', 'O', 'N', 'H', 'C', 'H', 'C', 'H', 'H', 'O', 'H', 'C', 'O', 'N',
'C', 'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'H', 'H', 'C', 'O', 'N', 'C',
'C', 'H', 'C', 'H', 'H', 'C', 'H', 'H', 'H', 'H', 'C', 'O', 'N', 'H', 'C',
'H', 'C', 'H', 'H', 'C', 'H', 'H', 'C', 'O', 'O', 'C', 'O', 'N', 'H', 'C',
'H', 'H', 'C', 'O']
pdb_record = ['ATOM']*174
res_name = ['GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY',
'GLY', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO',
'PRO', 'PRO', 'PRO', 'PRO', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU',
'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU', 'LEU',
'LEU', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'SER', 'SER', 'SER',
'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'MET', 'MET', 'MET',
'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET', 'MET',
'MET', 'MET', 'MET', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP', 'ASP',
'ASP', 'ASP', 'ASP', 'ASP', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER', 'SER',
'SER', 'SER', 'SER', 'SER', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO',
'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO',
'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'PRO', 'GLU',
'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU', 'GLU',
'GLU', 'GLU', 'GLU', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY']
@@ -3786,7 +3785,6 @@
for i in range(len(mol.atom_name)):
self.assertEqual(mol.atom_name[i], atom_name[i])
self.assertEqual(mol.bonded[i], bonded[i])
- self.assertEqual(mol.chain_id[i], chain_id[i])
self.assertEqual(mol.element[i], element[i])
self.assertEqual(mol.pdb_record[i], pdb_record[i])
self.assertEqual(mol.res_name[i], res_name[i])
@@ -3916,7 +3914,6 @@
self.assertEqual(mol.atom_name, ['N', 'N'])
self.assertEqual(mol.atom_num, [None, None])
self.assertEqual(mol.bonded, [[], []])
- self.assertEqual(mol.chain_id, [None, None])
self.assertEqual(mol.element, ['N', 'N'])
self.assertEqual(mol.pdb_record, [None, None])
self.assertEqual(mol.res_name, ['Tyr', 'Phe'])
@@ -3975,7 +3972,6 @@
self.assertEqual(cdp.structure.structural_data[i].mol[0].atom_num, [None,
None, None])
self.assertEqual(cdp.structure.structural_data[i].mol[0].atom_name, ['A',
'A', 'A'])
self.assertEqual(cdp.structure.structural_data[i].mol[0].bonded,
[[], [], []])
-
self.assertEqual(cdp.structure.structural_data[i].mol[0].chain_id, [None,
None, None])
self.assertEqual(cdp.structure.structural_data[i].mol[0].element, ['S', 'S',
'S'])
self.assertEqual(cdp.structure.structural_data[i].mol[0].pdb_record, [None,
None, None])
self.assertEqual(cdp.structure.structural_data[i].mol[0].res_name, ['UNK',
'UNK', 'UNK'])
@@ -4030,7 +4026,6 @@
self.assertEqual(cdp.structure.structural_data[0].mol[i].atom_num, [None,
None, None])
self.assertEqual(cdp.structure.structural_data[0].mol[i].atom_name, ['A',
'A', 'A'])
self.assertEqual(cdp.structure.structural_data[0].mol[i].bonded,
[[], [], []])
-
self.assertEqual(cdp.structure.structural_data[0].mol[i].chain_id, [None,
None, None])
self.assertEqual(cdp.structure.structural_data[0].mol[i].element, ['S', 'S',
'S'])
self.assertEqual(cdp.structure.structural_data[0].mol[i].pdb_record, [None,
None, None])
self.assertEqual(cdp.structure.structural_data[0].mol[i].res_name, ['UNK',
'UNK', 'UNK'])
@@ -4321,7 +4316,6 @@
# Check the first atom.
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_num[0], 1)
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_name[0], 'N')
-
self.assertEqual(cdp.structure.structural_data[0].mol[0].chain_id[0], 'A')
self.assertEqual(cdp.structure.structural_data[0].mol[0].res_name[0], 'MET')
self.assertEqual(cdp.structure.structural_data[0].mol[0].res_num[0],
1)
self.assertEqual(cdp.structure.structural_data[0].mol[0].x[0],
27.340)
@@ -4332,7 +4326,6 @@
# Check the last atom (from the last ATOM record, as water HETATM
records are skipped).
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_num[-1], 602)
self.assertEqual(cdp.structure.structural_data[0].mol[0].atom_name[-1], 'OXT')
-
self.assertEqual(cdp.structure.structural_data[0].mol[0].chain_id[-1], 'A')
self.assertEqual(cdp.structure.structural_data[0].mol[0].res_name[-1], 'GLY')
self.assertEqual(cdp.structure.structural_data[0].mol[0].res_num[-1], 76)
self.assertEqual(cdp.structure.structural_data[0].mol[0].x[-1],
40.862)
r28096 - in /trunk/test_suite/system_tests: noe.py structure.py