Author: tlinnet
Date: Fri Aug 22 00:37:46 2014
New Revision: 25190
URL: http://svn.gna.org/viewcvs/relax?rev=25190&view=rev
Log:
Modified systemtest test_bug_9999_slow_r1rho_r2eff_error_with_mc to save data
arrays.
This is to prepare a profiling script.
Modified:
trunk/test_suite/system_tests/relax_disp.py
Modified: trunk/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=25190&r1=25189&r2=25190&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Fri Aug 22 00:37:46 2014
@@ -23,7 +23,7 @@
# Python module imports.
from os import F_OK, access, getcwd, path, sep
-from numpy import array, exp, median, log, sum
+from numpy import array, exp, median, log, save, sum, zeros
import re, math
from tempfile import mkdtemp
@@ -1430,6 +1430,45 @@
# Start dic.
my_dic = {}
+ # Define counter for maximum elements in the numpy array list
+ NE = 0
+ NS = 1
+ NM = 0
+ NO = 0
+ ND = 0
+ NT = 0
+
+ for exp_type, frq, offset, point, ei, mi, oi, di in
loop_exp_frq_offset_point(return_indices=True):
+ # Save to counter.
+ if ei > NE:
+ NE = ei
+ if mi > NM:
+ NM = mi
+ if oi > NO:
+ NO = oi
+ if di > ND:
+ ND = di
+
+ for time, ti in loop_time(exp_type=exp_type, frq=frq,
offset=offset, point=point, return_indices=True):
+ # Save to counter.
+ if ti > NT:
+ NT = ti
+
+ # Add 1 to counter, since index start from 0.
+ NE = NE + 1
+ NM = NM + 1
+ NO = NO + 1
+ ND = ND + 1
+ NT = NT + 1
+
+ # Make data array.
+ values_arr = zeros([NE, NS, NM, NO, ND, NT])
+ errors_arr = zeros([NE, NS, NM, NO, ND, NT])
+ times_arr = zeros([NE, NS, NM, NO, ND, NT])
+ struct_arr = zeros([NE, NS, NM, NO, ND, NT])
+ param_key_list = []
+
+
# Loop over each spectrometer frequency and dispersion point.
for cur_spin, mol_name, resi, resn, spin_id in
spin_loop(full_info=True, return_id=True, skip_desel=True):
# Add key to dic.
@@ -1441,9 +1480,12 @@
# Loop over the parameters.
#print("Grid optimised parameters for spin: %s" % (spin_string))
- for exp_type, frq, offset, point in loop_exp_frq_offset_point():
+ for exp_type, frq, offset, point, ei, mi, oi, di in
loop_exp_frq_offset_point(return_indices=True):
# Generate the param_key.
param_key = return_param_key_from_data(exp_type=exp_type,
frq=frq, offset=offset, point=point)
+
+ # Append key.
+ param_key_list.append(param_key)
# Add key to dic.
my_dic[spin_id][param_key] = {}
@@ -1461,10 +1503,19 @@
values = []
errors = []
times = []
- for time in loop_time(exp_type=exp_type, frq=frq,
offset=offset, point=point):
- values.append(average_intensity(spin=cur_spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time,
sim_index=None))
- errors.append(average_intensity(spin=cur_spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time, error=True))
+ for time, ti in loop_time(exp_type=exp_type, frq=frq,
offset=offset, point=point, return_indices=True):
+ value = average_intensity(spin=cur_spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time,
sim_index=None)
+ values.append(value)
+
+ error = average_intensity(spin=cur_spin,
exp_type=exp_type, frq=frq, offset=offset, point=point, time=time, error=True)
+ errors.append(error)
times.append(time)
+
+ # Save to numpy arrays.
+ values_arr[ei, 0, mi, oi, di, ti] = value
+ errors_arr[ei, 0, mi, oi, di, ti] = error
+ times_arr[ei, 0, mi, oi, di, ti] = time
+ struct_arr[ei, 0, mi, oi, di, ti] = 1.0
# y= A exp(x * k)
# w[i] = ln(y[i])
@@ -1519,6 +1570,18 @@
print("%-10s %-6s %-6s %3.1f : %3.1f: %3.1f" % ("Parameter:",
'R2eff', "Grid : Min : Estimated:", R2eff_value_grid, R2eff_value, R2eff_est))
print("%-10s %-6s %-6s %3.1f : %3.1f: %3.1f" % ("Parameter:",
'i0', "Grid : Min : Estimated:", i0_value_grid, i0_value, i0_est))
+
+ print(NE, NS, NM, NO, ND, NT)
+ for param_key in param_key_list:
+ print(" '%s'," % param_key)
+ print(values_arr.shape)
+
+ # Save arrays to profiling.
+ data_path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'curve_fitting'+sep+'profiling'+sep
+ #save(data_path + "values_arr", values_arr)
+ #save(data_path + "errors_arr", errors_arr)
+ #save(data_path + "times_arr", times_arr)
+ #save(data_path + "struct_arr", struct_arr)
def test_check_missing_r1(self):
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