Author: bugman
Date: Thu Feb 17 16:59:31 2011
New Revision: 12539
URL: http://svn.gna.org/viewcvs/relax?rev=12539&view=rev
Log:
Added a basic system test for the loading of a PDC file.
Added:
branches/bruker_import/test_suite/system_tests/pdc.py
Modified:
branches/bruker_import/test_suite/system_tests/__init__.py
Modified: branches/bruker_import/test_suite/system_tests/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bruker_import/test_suite/system_tests/__init__.py?rev=12539&r1=12538&r2=12539&view=diff
==============================================================================
--- branches/bruker_import/test_suite/system_tests/__init__.py (original)
+++ branches/bruker_import/test_suite/system_tests/__init__.py Thu Feb 17
16:59:31 2011
@@ -48,6 +48,7 @@
from noe import Noe
from noe_restraints import Noe_restraints
from palmer import Palmer
+from pdc import Pdc
from peak_lists import Peak_lists
from pipes import Pipes
from relax_fit import Relax_fit
@@ -75,6 +76,7 @@
'noe',
'noe_restraints',
'palmer',
+ 'pdc',
'peak_lists'
'pipes',
'relax_fit',
@@ -137,6 +139,7 @@
suite_array.append(TestLoader().loadTestsFromTestCase(Noe))
suite_array.append(TestLoader().loadTestsFromTestCase(Noe_restraints))
suite_array.append(TestLoader().loadTestsFromTestCase(Palmer))
+ suite_array.append(TestLoader().loadTestsFromTestCase(Pdc))
suite_array.append(TestLoader().loadTestsFromTestCase(Peak_lists))
suite_array.append(TestLoader().loadTestsFromTestCase(Pipes))
suite_array.append(TestLoader().loadTestsFromTestCase(Relax_fit))
Added: branches/bruker_import/test_suite/system_tests/pdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bruker_import/test_suite/system_tests/pdc.py?rev=12539&view=auto
==============================================================================
--- branches/bruker_import/test_suite/system_tests/pdc.py (added)
+++ branches/bruker_import/test_suite/system_tests/pdc.py Thu Feb 17 16:59:31
2011
@@ -1,0 +1,70 @@
+###############################################################################
+#
#
+# Copyright (C) 2011 Edward d'Auvergne
#
+#
#
+# This file is part of the program relax.
#
+#
#
+# relax is free software; you can redistribute it and/or modify
#
+# it under the terms of the GNU General Public License as published by
#
+# the Free Software Foundation; either version 2 of the License, or
#
+# (at your option) any later version.
#
+#
#
+# relax is distributed in the hope that it will be useful,
#
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
#
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
#
+# GNU General Public License for more details.
#
+#
#
+# You should have received a copy of the GNU General Public License
#
+# along with relax; if not, write to the Free Software
#
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
+#
#
+###############################################################################
+
+# Python module imports.
+from os import sep
+
+# relax module imports.
+from base_classes import SystemTestCase
+from data import Relax_data_store; ds = Relax_data_store()
+from generic_fns.mol_res_spin import spin_loop
+from status import Status; status = Status()
+
+
+class Pdc(SystemTestCase):
+ """TestCase class for the functional tests for the support of different
peak intensity files."""
+
+ def setUp(self):
+ """Set up for all the functional tests."""
+
+ # Create a data pipe.
+ self.interpreter.pipe.create('mf', 'mf')
+
+
+ def tearDown(self):
+ """Reset the relax data storage object."""
+
+ ds.__reset__()
+
+
+ def test_pdc_read_r1(self):
+ """Test the reading of a PDC R1 file."""
+
+ # Read the sequence data.
+ self.interpreter.sequence.read(file="seq", dir=status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'pdc_files', res_num_col=2,
res_name_col=1)
+
+ # Read the PDC file.
+ self.interpreter.pdc.read(file="testT1.txt", dir=status.install_path
+ sep+'test_suite'+sep+'shared_data'+sep+'pdc_files')
+
+ # The R1 values and errors.
+ r1 = [2.1929824561403506, 2.3315458148752621, 2.3479690068091101,
2.2487069934787498, 2.2789425706472195, 2.2202486678507993,
2.2396416573348263, 1.9677292404565132, 2.0876826722338206,
1.9972039145196723, 2.1640337589266392, 2.2722108611679164,
2.198768689533861, 2.2794620469569185, 2.0863759649488838,
2.2841480127912286, 2.1079258010118043, 2.2426553038797934,
2.3496240601503762, 2.2747952684258417, 2.4666995559940799,
2.3952095808383236, 2.1331058020477816, 2.3623907394283012,
2.3849272597185784, 2.3266635644485807, 2.4201355275895451,
2.3719165085388996, 2.3430178069353325, 2.1929824561403506,
2.2381378692927485, 2.2461814914645104, 1.9908421262193909,
2.2935779816513762, 2.254791431792559, 2.2241992882562278,
2.2794620469569185, 2.1724961981316535, 2.2794620469569185,
2.2660321776569226, 2.1720243266724588, 2.1910604732690624,
2.201188641866608, 2.113718030014796, 2.2441651705565531, 2.1335609131640707,
2.0458265139116203, 2.1920210434020166, 2.2747952684258417,
2.369106846718787, 2.2977941176470589, 2.3769907297361539,
2.2256843979523704, 2.2846698652044779, 2.3419203747072599,
1.9735543714229324, 2.164970772894566, 2.3191094619666046,
2.1891418563922942, 2.1810250817884405, 2.2675736961451247,
2.2461814914645104, 2.2487069934787498, 2.3153507756425098,
2.1758050478677111, 2.1635655560363478, 1.8566654288897142,
1.6121231662098985, 1.1622501162250116, 0.76335877862595414]
+ r1_err = [0.01200965609744685, 0.010001269606943386,
0.014497328483275753, 0.017805986279093564, 0.016018667863406139,
0.017175189438147654, 0.026656491007505816, 0.031887779033080439,
0.023244092500188742, 0.020492456637261992, 0.029405891083078388,
0.01724495081874064, 0.01461697060810881, 0.02232974258295586,
0.02572151337315175, 0.010559282318387871, 0.016876893309262682,
0.017643913187751065, 0.014456078128988579, 0.016222388027422298,
0.031349594240368733, 0.01381795555426827, 0.031593715633575291,
0.014850296101237673, 0.01433010139959676, 0.014886542679656093,
0.028008532399493073, 0.016853421056507993, 0.022990136348984259,
0.0077526838964126618, 0.0087903861457864114, 0.0095823570170703309,
0.016406914713081141, 0.014017596021854406, 0.0082353341440280434,
0.0080224854977105717, 0.038356180461015923, 0.019400343009578245,
0.019328035658745031, 0.012053816426506214, 0.035782740545298959,
0.021649400748203228, 0.029269621811524992, 0.018562879666725228,
0.014902420831105908, 0.013092542922620737, 0.015532366084086535,
0.016241586270343469, 0.015471314987942781, 0.01280177019270343,
0.010884638690164417, 0.012051066637543139, 0.012052360296519725,
0.0098552267333291456, 0.01648523123453919, 0.011617590201411589,
0.010998422685668165, 0.0089587926554740432, 0.010297080815262576,
0.01703057555352612, 0.027715540546853271, 0.0075177053019219947,
0.013878906064287936, 0.012018326494346573, 0.015157605152070361,
0.012308323508744523, 0.020378703408850622, 0.030416664636750697,
0.037868020828549613, 0.0070054979630267845]
+
+ # Loop over the spins.
+ i = 0
+ for spin in spin_loop():
+ # Check the R1 value and error.
+ self.assertEqaul(spin.relax_data[0], r1[i])
+ self.assertEqaul(spin.relax_error[0], r1_err[i])
+
+ # Increment the data index.
+ i += 1
r12539 - in /branches/bruker_import/test_suite/system_tests: __init__.py pdc.py