Author: bugman
Date: Tue Mar 3 17:34:39 2015
New Revision: 27763
URL: http://svn.gna.org/viewcvs/relax?rev=27763&view=rev
Log:
Created the Rdc.test_corr_plot system test to check the rdc.corr_plot user
function.
This shows that this poorly tested function works correctly.
Modified:
trunk/test_suite/system_tests/rdc.py
Modified: trunk/test_suite/system_tests/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/rdc.py?rev=27763&r1=27762&r2=27763&view=diff
==============================================================================
--- trunk/test_suite/system_tests/rdc.py (original)
+++ trunk/test_suite/system_tests/rdc.py Tue Mar 3 17:34:39 2015
@@ -25,6 +25,7 @@
# Python module imports.
from os import sep
+from tempfile import mktemp
# relax module imports.
from data_store import Relax_data_store; ds = Relax_data_store()
@@ -64,6 +65,111 @@
# Q factors.
self.interpreter.rdc.calc_q_factors()
+
+
+ def test_corr_plot(self):
+ """Test the operation of the rdc.corr_plot user function."""
+
+ # Create a data pipe.
+ self.interpreter.pipe.create('orig', 'N-state')
+
+ # Data directory.
+ dir = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'align_data'+sep
+
+ # Load the spins.
+ self.interpreter.sequence.read(file='tb.txt', dir=dir, spin_id_col=1)
+ self.interpreter.sequence.attach_protons()
+ self.interpreter.sequence.display()
+
+ # Load the RDCs.
+ self.interpreter.rdc.read(align_id='tb', file='tb.txt', dir=dir,
spin_id1_col=1, spin_id2_col=2, data_col=3, error_col=4)
+ self.interpreter.sequence.display()
+
+ # Create back-calculated RDC values from the real values.
+ for interatom in interatomic_loop():
+ if hasattr(interatom, 'rdc'):
+ if not hasattr(interatom, 'rdc_bc'):
+ interatom.rdc_bc = {}
+ interatom.rdc_bc['tb'] = interatom.rdc['tb'] + 1.0
+
+ # Correlation plot.
+ ds.tmpfile = mktemp()
+ self.interpreter.rdc.corr_plot(format='grace', title='Test',
subtitle='Test2', file=ds.tmpfile, dir=None, force=True)
+
+ # The expected file contents.
+ real_contents = [
+ "@version 50121",
+ "@page size 842, 595",
+ "@with g0",
+ "@ world -27.0, -27.0, 16.0, 16.0",
+ "@ view 0.15, 0.15, 1.28, 0.85",
+ "@ title \"Test\"",
+ "@ subtitle \"Test2\"",
+ "@ xaxis label \"Back-calculated RDC (Hz)\"",
+ "@ xaxis label char size 1.00",
+ "@ xaxis tick major 10",
+ "@ xaxis tick major size 0.50",
+ "@ xaxis tick major linewidth 0.5",
+ "@ xaxis tick minor ticks 9",
+ "@ xaxis tick minor linewidth 0.5",
+ "@ xaxis tick minor size 0.25",
+ "@ xaxis ticklabel char size 0.70",
+ "@ yaxis label \"Measured RDC (Hz)\"",
+ "@ yaxis label char size 1.00",
+ "@ yaxis tick major 10",
+ "@ yaxis tick major size 0.50",
+ "@ yaxis tick major linewidth 0.5",
+ "@ yaxis tick minor ticks 9",
+ "@ yaxis tick minor linewidth 0.5",
+ "@ yaxis tick minor size 0.25",
+ "@ yaxis ticklabel char size 0.70",
+ "@ legend on",
+ "@ legend 1, 0.5",
+ "@ legend box fill pattern 1",
+ "@ legend char size 1.0",
+ "@ frame linewidth 0.5",
+ "@ s0 symbol 1",
+ "@ s0 symbol size 0.45",
+ "@ s0 symbol linewidth 0.5",
+ "@ s0 errorbar size 0.5",
+ "@ s0 errorbar linewidth 0.5",
+ "@ s0 errorbar riser linewidth 0.5",
+ "@ s0 line linestyle 2",
+ "@ s1 symbol 2",
+ "@ s1 symbol size 0.45",
+ "@ s1 symbol linewidth 0.5",
+ "@ s1 errorbar size 0.5",
+ "@ s1 errorbar linewidth 0.5",
+ "@ s1 errorbar riser linewidth 0.5",
+ "@ s1 line linestyle 0",
+ "@ s1 legend \"tb\"",
+ "@target G0.S0",
+ "@type xydy",
+ "-100 -100.000000000000000
0.000000000000000 ",
+ "100 100.000000000000000
0.000000000000000 ",
+ "&",
+ "@target G0.S1",
+ "@type xydy",
+ "-25.2501958629 -26.250195862900000
1.000000000000000 \"#
#CaM:5@N-#CaM:5@H\"",
+ "10.9308176694 9.930817669420000
1.000000000000000 \"#
#CaM:6@N-#CaM:6@H\"",
+ "8.26317614156 7.263176141560000
1.000000000000000 \"#
#CaM:7@N-#CaM:7@H\"",
+ "-0.24840526981 -1.248405269810000
0.000000000000000 \"#
#CaM:8@N-#CaM:8@H\"",
+ "6.31803314334 5.318033143340000
1.000000000000000 \"#
#CaM:9@N-#CaM:9@H\"",
+ "15.0362909456 14.036290945599999
1.000000000000000 \"#
#CaM:10@N-#CaM:10@H\"",
+ "2.33652530397 1.336525303970000
0.000000000000000 \"#
#CaM:11@N-#CaM:11@H\"",
+ "-0.6021670281 -1.602167028100000
0.000000000000000 \"#
#CaM:12@N-#CaM:12@H\"",
+ "&",
+ ]
+
+ # Check the data.
+ print("\nChecking the Grace file contents.")
+ file = open(ds.tmpfile)
+ lines = file.readlines()
+ file.close()
+ self.assertEqual(len(real_contents), len(lines))
+ for i in range(len(lines)):
+ print(lines[i][:-1])
+ self.assertEqual(real_contents[i], lines[i][:-1])
def test_rdc_copy(self):
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