Author: bugman
Date: Mon Jan 26 14:58:55 2015
New Revision: 27304
URL: http://svn.gna.org/viewcvs/relax?rev=27304&view=rev
Log:
Updated the Structure.test_delete_atom system test for the changed PDB
structures.
The test_suite/shared_data/diffusion_tensor/spheroid/uniform.pdb file now has
more residues, and the
atomic positions are different.
Modified:
trunk/test_suite/system_tests/structure.py
Modified: trunk/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=27304&r1=27303&r2=27304&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Mon Jan 26 14:58:55 2015
@@ -2954,45 +2954,46 @@
self.interpreter.structure.delete(atom_id=':4@N', verbosity=1)
self.interpreter.structure.delete(atom_id=':19', verbosity=1)
self.interpreter.structure.delete(atom_id=':16@H', verbosity=1)
+ self.interpreter.structure.delete(atom_id=':21-100', verbosity=1)
# The expected atomic data after deletion.
data = [
- ["N", "NH", 1, 0.000, 0.000, 0.000, 0, [1]],
- ["H", "NH", 1, 0.000, 0.000, -1.020, 1, [0]],
- ["N", "NH", 2, 0.000, 0.000, 0.000, 2, [3]],
- ["H", "NH", 2, 0.883, 0.000, -0.510, 3, [2]],
- ["N", "NH", 3, 0.000, 0.000, 0.000, 4, [5]],
- ["H", "NH", 3, 0.883, 0.000, 0.510, 5, [4]],
- ["H", "NH", 4, 0.000, 0.000, 1.020, 6, []],
- ["N", "NH", 5, 0.000, 0.000, 0.000, 7, [8]],
- ["H", "NH", 5, 0.000, 0.000, -1.020, 8, [7]],
- ["N", "NH", 6, 0.000, 0.000, 0.000, 9, [10]],
- ["H", "NH", 6, 0.273, 0.840, -0.510, 10, [9]],
- ["N", "NH", 7, 0.000, 0.000, 0.000, 11, [12]],
- ["H", "NH", 7, 0.273, 0.840, 0.510, 12, [11]],
- ["N", "NH", 8, 0.000, 0.000, 0.000, 13, [14]],
- ["H", "NH", 8, 0.000, 0.000, 1.020, 14, [13]],
- ["N", "NH", 9, 0.000, 0.000, 0.000, 15, [16]],
- ["H", "NH", 9, -0.000, 0.000, -1.020, 16, [15]],
- ["N", "NH", 10, 0.000, 0.000, 0.000, 17, [18]],
- ["H", "NH", 10, -0.715, 0.519, -0.510, 18, [17]],
- ["N", "NH", 11, 0.000, 0.000, 0.000, 19, [20]],
- ["H", "NH", 11, -0.715, 0.519, 0.510, 20, [19]],
- ["N", "NH", 12, 0.000, 0.000, 0.000, 21, [22]],
- ["H", "NH", 12, -0.000, 0.000, 1.020, 22, [21]],
- ["N", "NH", 13, 0.000, 0.000, 0.000, 23, [24]],
- ["H", "NH", 13, -0.000, -0.000, -1.020, 24, [23]],
- ["N", "NH", 14, 0.000, 0.000, 0.000, 25, [26]],
- ["H", "NH", 14, -0.715, -0.519, -0.510, 26, [25]],
- ["N", "NH", 15, 0.000, 0.000, 0.000, 27, [28]],
- ["H", "NH", 15, -0.715, -0.519, 0.510, 28, [27]],
- ["N", "NH", 16, 0.000, 0.000, 0.000, 29, []],
- ["N", "NH", 17, 0.000, 0.000, 0.000, 30, [31]],
- ["H", "NH", 17, 0.000, -0.000, -1.020, 31, [30]],
- ["N", "NH", 18, 0.000, 0.000, 0.000, 32, [33]],
- ["H", "NH", 18, 0.273, -0.840, -0.510, 33, [32]],
- ["N", "NH", 20, 0.000, 0.000, 0.000, 34, [35]],
- ["H", "NH", 20, 0.000, -0.000, 1.020, 35, [34]]
+ ["N", "PRO", 1, 0.000, 0.000, -10.000, 0, [1]],
+ ["H", "PRO", 1, 0.000, 0.000, -11.020, 1, [0]],
+ ["N", "PRO", 2, 7.454, 0.000, -6.667, 2, [3]],
+ ["H", "PRO", 2, 8.214, 0.000, -7.347, 3, [2]],
+ ["N", "ILE", 3, 10.000, 0.000, 0.000, 4, [5]],
+ ["H", "ILE", 3, 11.020, 0.000, 0.000, 5, [4]],
+ ["H", "VAL", 4, 8.214, 0.000, 7.347, 6, []],
+ ["N", "VAL", 5, 0.000, 0.000, 10.000, 7, [8]],
+ ["H", "VAL", 5, 0.000, 0.000, 11.020, 8, [7]],
+ ["N", "ASN", 6, 0.000, 0.000, -10.000, 9, [10]],
+ ["H", "ASN", 6, 0.000, 0.000, -11.020, 10, [9]],
+ ["N", "SER", 7, 3.727, 6.455, -6.667, 11, [12]],
+ ["H", "SER", 7, 4.107, 7.113, -7.347, 12, [11]],
+ ["N", "LEU", 8, 5.000, 8.660, 0.000, 13, [14]],
+ ["H", "LEU", 8, 5.510, 9.544, 0.000, 14, [13]],
+ ["N", "SER", 9, 3.727, 6.455, 6.667, 15, [16]],
+ ["H", "SER", 9, 4.107, 7.113, 7.347, 16, [15]],
+ ["N", "ASN", 10, 0.000, 0.000, 10.000, 17, [18]],
+ ["H", "ASN", 10, 0.000, 0.000, 11.020, 18, [17]],
+ ["N", "PHE", 11, -0.000, 0.000, -10.000, 19, [20]],
+ ["H", "PHE", 11, -0.000, 0.000, -11.020, 20, [19]],
+ ["N", "ALA", 12, -3.727, 6.455, -6.667, 21, [22]],
+ ["H", "ALA", 12, -4.107, 7.113, -7.347, 22, [21]],
+ ["N", "ILE", 13, -5.000, 8.660, 0.000, 23, [24]],
+ ["H", "ILE", 13, -5.510, 9.544, 0.000, 24, [23]],
+ ["N", "GLY", 14, -3.727, 6.455, 6.667, 25, [26]],
+ ["H", "GLY", 14, -4.107, 7.113, 7.347, 26, [25]],
+ ["N", "SER", 15, -0.000, 0.000, 10.000, 27, [28]],
+ ["H", "SER", 15, -0.000, 0.000, 11.020, 28, [27]],
+ ["N", "PHE", 16, -0.000, 0.000, -10.000, 29, []],
+ ["N", "VAL", 17, -7.454, 0.000, -6.667, 30, [31]],
+ ["H", "VAL", 17, -8.214, 0.000, -7.347, 31, [30]],
+ ["N", "ILE", 18, -10.000, 0.000, 0.000, 32, [33]],
+ ["H", "ILE", 18, -11.020, 0.000, 0.000, 33, [32]],
+ ["N", "LEU", 20, -0.000, 0.000, 10.000, 34, [35]],
+ ["H", "LEU", 20, -0.000, 0.000, 11.020, 35, [34]]
]
# The selection object.
@@ -3002,6 +3003,7 @@
mol = cdp.structure.structural_data[0].mol[0]
self.assertEqual(len(data), len(mol.atom_name))
for i in range(len(mol.atom_name)):
+ print("Checking :%i@%s" % (data[i][2], data[i][0]))
self.assertEqual(mol.atom_name[i], data[i][0])
self.assertEqual(mol.res_name[i], data[i][1])
self.assertEqual(mol.res_num[i], data[i][2])
r27304 - /trunk/test_suite/system_tests/structure.py