Author: tlinnet
Date: Wed Jul 30 20:11:49 2014
New Revision: 24851
URL: http://svn.gna.org/viewcvs/relax?rev=24851&view=rev
Log:
Extended systemtest Relax_disp.test_r1rho_kjaergaard_auto(), to check that
the expected graphs exist.
sr #3124(https://gna.org/support/?3124): Grace graphs production for R1rho
analysis with R2_eff as function of Omega_eff.
sr #3138(https://gna.org/support/?3138): Interpolating theta through
spin-lock offset [Omega], rather than spin-lock field strength [w1].
Modified:
branches/r1rho_plotting/test_suite/system_tests/relax_disp.py
Modified: branches/r1rho_plotting/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/r1rho_plotting/test_suite/system_tests/relax_disp.py?rev=24851&r1=24850&r2=24851&view=diff
==============================================================================
--- branches/r1rho_plotting/test_suite/system_tests/relax_disp.py
(original)
+++ branches/r1rho_plotting/test_suite/system_tests/relax_disp.py Wed
Jul 30 20:11:49 2014
@@ -31,8 +31,10 @@
from auto_analyses import relax_disp
from data_store import Relax_data_store; ds = Relax_data_store()
import dep_check
+from lib.io import get_file_path
from pipe_control.mol_res_spin import return_spin, spin_loop
-from specific_analyses.relax_disp.data import generate_r20_key,
get_curve_type, loop_exp_frq, loop_exp_frq_offset_point,
return_param_key_from_data
+from specific_analyses.relax_disp.data import generate_r20_key,
get_curve_type, has_r1rho_exp_type, loop_exp_frq, loop_exp_frq_offset_point,
return_param_key_from_data
+from specific_analyses.relax_disp.data import INTERPOLATE_DISP,
INTERPOLATE_OFFSET, X_AXIS_DISP, X_AXIS_W_EFF, X_AXIS_THETA, Y_AXIS_R2_R1RHO,
Y_AXIS_R2_EFF
from specific_analyses.relax_disp.variables import EXP_TYPE_CPMG_DQ,
EXP_TYPE_CPMG_MQ, EXP_TYPE_CPMG_PROTON_MQ, EXP_TYPE_CPMG_PROTON_SQ,
EXP_TYPE_CPMG_SQ, EXP_TYPE_CPMG_ZQ, EXP_TYPE_R1RHO, MODEL_B14_FULL,
MODEL_CR72, MODEL_CR72_FULL, MODEL_IT99, MODEL_LM63, MODEL_M61B, MODEL_NOREX,
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED,
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_PARAMS, MODEL_R2EFF
from status import Status; status = Status()
from test_suite.system_tests.base_classes import SystemTestCase
@@ -4743,6 +4745,40 @@
# Check the kex value of residue 52
#self.assertAlmostEqual(cdp.mol[0].res[41].spin[0].kex,
ds.ref[':52@N'][6])
+ # Check the graphs produced.
+ graph_comb = [
+ [Y_AXIS_R2_EFF, X_AXIS_DISP, INTERPOLATE_DISP],
+ [Y_AXIS_R2_EFF, X_AXIS_THETA, INTERPOLATE_DISP],
+ [Y_AXIS_R2_R1RHO, X_AXIS_W_EFF, INTERPOLATE_DISP],
+ [Y_AXIS_R2_EFF, X_AXIS_THETA, INTERPOLATE_OFFSET]
+ ]
+
+ result_folders = MODELS + ['final']
+
+ # Assign spin_id.
+ spin_id = ':52@N'
+
+ # Loop over result folders.
+ for result_folder in result_folders:
+ # Loop over graphs.
+ for y_axis, x_axis, interpolate in graph_comb:
+ # Determine file name:
+ if y_axis == Y_AXIS_R2_EFF and x_axis == X_AXIS_DISP and
interpolate == INTERPOLATE_DISP:
+ file_name_ini = "disp"
+ # Special file name for R2_R1RHO data.
+ elif has_r1rho_exp_type and y_axis == Y_AXIS_R2_EFF and
x_axis != X_AXIS_DISP:
+ file_name_ini = "%s_vs_%s_inter_%s"%("r1rho", x_axis,
interpolate)
+ else:
+ file_name_ini = "%s_vs_%s_inter_%s"%(y_axis, x_axis,
interpolate)
+
+ # Make the file name.
+ file_name = "%s%s.agr" % (file_name_ini,
spin_id.replace('#', '_').replace(':', '_').replace('@', '_'))
+
+ file_path = get_file_path(file_name,
result_dir_name+sep+result_folder)
+
+ print("Testing file access to graph: %s"%file_path)
+ self.assert_(access(file_path, F_OK))
+
def test_r1rho_kjaergaard_man(self):
"""Optimisation of the Kjaergaard et al., 2013 Off-resonance R1rho
relaxation dispersion experiments using the 'DPL' model.
r24851 - /branches/r1rho_plotting/test_suite/system_tests/relax_disp.py