Author: tlinnet
Date: Sat Aug 2 15:27:40 2014
New Revision: 24918
URL: http://svn.gna.org/viewcvs/relax?rev=24918&view=rev
Log:
Modified the warning and error messages beeing raised when calling
return_r1_data().
Now warnings is raised if no R1 data is available. An error is raised if
the R1rho model is expected to have R1 data, and it is not available.
That makes systemtest: Relax_disp.test_r1rho_kjaergaard_missing_r1() fail,
which is the expected behaviour.
sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation
rate for the off-resonance R1rho relaxation dispersion models.
bug #21788(https://gna.org/bugs/?21788): Only Warning is raised for missing
loading R1 relaxation rate for the off-resonance R1rho relaxation
dispersion models.
Modified:
branches/R1_fitting/specific_analyses/relax_disp/data.py
Modified: branches/R1_fitting/specific_analyses/relax_disp/data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/data.py?rev=24918&r1=24917&r2=24918&view=diff
==============================================================================
--- branches/R1_fitting/specific_analyses/relax_disp/data.py (original)
+++ branches/R1_fitting/specific_analyses/relax_disp/data.py Sat Aug 2
15:27:40 2014
@@ -79,7 +79,7 @@
from pipe_control import value
import specific_analyses
from specific_analyses.relax_disp.checks import check_exp_type,
check_interpolate_offset_cpmg_model, check_mixed_curve_types
-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_DESC_CPMG_DQ,
EXP_TYPE_DESC_CPMG_MQ, EXP_TYPE_DESC_CPMG_PROTON_MQ,
EXP_TYPE_DESC_CPMG_PROTON_SQ, EXP_TYPE_DESC_CPMG_SQ, EXP_TYPE_DESC_CPMG_ZQ,
EXP_TYPE_DESC_R1RHO, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG,
EXP_TYPE_LIST_R1RHO, EXP_TYPE_R1RHO, MODEL_B14, MODEL_B14_FULL,
MODEL_DPL94, MODEL_LIST_MMQ, MODEL_LIST_NUMERIC_CPMG, MODEL_LIST_R1RHO,
MODEL_LIST_R1RHO_FULL, MODEL_MP05, MODEL_NS_R1RHO_2SITE, MODEL_PARAMS,
MODEL_R2EFF, MODEL_TAP03, MODEL_TP02, PARAMS_R20
+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_DESC_CPMG_DQ,
EXP_TYPE_DESC_CPMG_MQ, EXP_TYPE_DESC_CPMG_PROTON_MQ,
EXP_TYPE_DESC_CPMG_PROTON_SQ, EXP_TYPE_DESC_CPMG_SQ, EXP_TYPE_DESC_CPMG_ZQ,
EXP_TYPE_DESC_R1RHO, EXP_TYPE_LIST, EXP_TYPE_LIST_CPMG,
EXP_TYPE_LIST_R1RHO, EXP_TYPE_R1RHO, MODEL_B14, MODEL_B14_FULL,
MODEL_DPL94, MODEL_LIST_MMQ, MODEL_LIST_NUMERIC_CPMG, MODEL_LIST_R1RHO,
MODEL_LIST_R1RHO_FULL, MODEL_LIST_R1RHO_W_R1, MODEL_MP05,
MODEL_NS_R1RHO_2SITE, MODEL_PARAMS, MODEL_R2EFF, MODEL_TAP03, MODEL_TP02,
PARAMS_R20
from stat import S_IRWXU, S_IRGRP, S_IROTH
from os import chmod, sep
@@ -4032,9 +4032,29 @@
# Check for the presence of data.
if not hasattr(cdp, 'ri_ids'):
+ warn_text = "No R1 relaxation data has been loaded. Setting it to
0.0. This is essential for the proper handling of offsets in off-resonance
R1rho experiments."
+ error_text = "No R1 relaxation data has been loaded. This is
essential for the proper handling of offsets in off-resonance R1rho
experiments."
if has_r1rho_exp_type():
- warn(RelaxWarning("No R1 relaxation data has been loaded.
This is essential for the proper handling of offsets in off-resonance R1rho
experiments."))
- return 0.0 * r1
+ # Spin loop.
+ for si in range(spin_num):
+ # Assign spin.
+ spin=spins[si]
+
+ # For all R1rho models using R1, raise an error, if R1 has
not been loaded.
+ if spin.model in MODEL_LIST_R1RHO_W_R1:
+ raise RelaxError(error_text)
+
+ # For all models not listed in R1rho models, raise a
warning, and set 0.0 as value.
+ else:
+ warn(RelaxWarning(warn_text))
+ r1[si] = 0.0 * r1[si]
+
+ # For all non-R1rho experiments, return 0.0.
+ else:
+ r1 = 0.0 * r1
+
+ # Return r1
+ return r1
# Loop over the Rx IDs.
flags = [False]*field_count
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-commits mailing list
relax-commits@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits