mailRe: r24323 - in /branches/disp_spin_speed: dep_check.py target_functions/relax_disp.py


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Posted by Edward d'Auvergne on June 27, 2014 - 18:18:
Hi Troels,

Because of the change
http://www.mail-archive.com/relax-commits@xxxxxxx/msg21976.html, the
changes of r24323 are now redundant so you can revert them.

Cheers,

Edward



On 25 June 2014 19:31,  <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Wed Jun 25 19:31:40 2014
New Revision: 24323

URL: http://svn.gna.org/viewcvs/relax?rev=24323&view=rev
Log:
Implemented a dependency check for numpy einsum, so relax can still start.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion 
models for Clustered analysis.

Modified:
    branches/disp_spin_speed/dep_check.py
    branches/disp_spin_speed/target_functions/relax_disp.py

Modified: branches/disp_spin_speed/dep_check.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/dep_check.py?rev=24323&r1=24322&r2=24323&view=diff
==============================================================================
--- branches/disp_spin_speed/dep_check.py       (original)
+++ branches/disp_spin_speed/dep_check.py       Wed Jun 25 19:31:40 2014
@@ -57,6 +57,14 @@

 # Optional packages.
 ####################
+
+# numpy einsum import.
+try:
+    from numpy import einsum
+    einsum_module = True
+except ImportError:
+    sys.stderr.write("The dependency 'numpy einsum' has not been 
installed.  Numerical models in dispersion analysis will not be 
possible.\n")
+    einsum_module = False

 # Bmrblib python package check.
 try:

Modified: branches/disp_spin_speed/target_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/target_functions/relax_disp.py?rev=24323&r1=24322&r2=24323&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Wed Jun 25 
19:31:40 2014
@@ -30,6 +30,7 @@
 from numpy.ma import masked_equal

 # relax module imports.
+import dep_check
 from lib.dispersion.b14 import r2eff_B14
 from lib.dispersion.cr72 import r2eff_CR72
 from lib.dispersion.dpl94 import r1rho_DPL94
@@ -40,13 +41,7 @@
 from lib.dispersion.m61b import r1rho_M61b
 from lib.dispersion.mp05 import r1rho_MP05
 from lib.dispersion.mmq_cr72 import r2eff_mmq_cr72
-from lib.dispersion.ns_cpmg_2site_3d import r2eff_ns_cpmg_2site_3D
 from lib.dispersion.ns_cpmg_2site_expanded import 
r2eff_ns_cpmg_2site_expanded
-from lib.dispersion.ns_cpmg_2site_star import r2eff_ns_cpmg_2site_star
-from lib.dispersion.ns_mmq_3site import r2eff_ns_mmq_3site_mq, 
r2eff_ns_mmq_3site_sq_dq_zq
-from lib.dispersion.ns_mmq_2site import r2eff_ns_mmq_2site_mq, 
r2eff_ns_mmq_2site_sq_dq_zq
-from lib.dispersion.ns_r1rho_2site import ns_r1rho_2site
-from lib.dispersion.ns_r1rho_3site import ns_r1rho_3site
 from lib.dispersion.ns_matrices import r180x_3d
 from lib.dispersion.tp02 import r1rho_TP02
 from lib.dispersion.tap03 import r1rho_TAP03
@@ -56,6 +51,14 @@
 from target_functions.chi2 import chi2, chi2_rankN
 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_LIST_CPMG, EXP_TYPE_R1RHO, 
MODEL_B14, MODEL_B14_FULL, MODEL_CR72, MODEL_CR72_FULL, MODEL_DPL94, 
MODEL_IT99, MODEL_LIST_CPMG, MODEL_LIST_CPMG_FULL, MODEL_LIST_FULL, 
MODEL_LIST_MMQ, MODEL_LIST_MQ_CPMG, MODEL_LIST_R1RHO, 
MODEL_LIST_R1RHO_FULL, MODEL_LM63, MODEL_LM63_3SITE, MODEL_M61, MODEL_M61B, 
MODEL_MP05, MODEL_MMQ_CR72, MODEL_NOREX, MODEL_NS_CPMG_2SITE_3D, 
MODEL_NS_CPMG_2SITE_3D_FULL, MODEL_NS_CPMG_2SITE_EXPANDED, 
MODEL_NS_CPMG_2SITE_STAR, MODEL_NS_CPMG_2SITE_STAR_FULL, 
MODEL_NS_MMQ_2SITE, MODEL_NS_MMQ_3SITE, MODEL_NS_MMQ_3SITE_LINEAR, 
MODEL_NS_R1RHO_2SITE, MODEL_NS_R1RHO_3SITE, MODEL_NS_R1RHO_3SITE_LINEAR, 
MODEL_TAP03, MODEL_TP02, MODEL_TSMFK01

+# Check if eisum is available for numerical models.
+if dep_check.einsum_module:
+    from lib.dispersion.ns_cpmg_2site_3d import r2eff_ns_cpmg_2site_3D
+    from lib.dispersion.ns_cpmg_2site_star import r2eff_ns_cpmg_2site_star
+    from lib.dispersion.ns_mmq_3site import r2eff_ns_mmq_3site_mq, 
r2eff_ns_mmq_3site_sq_dq_zq
+    from lib.dispersion.ns_mmq_2site import r2eff_ns_mmq_2site_mq, 
r2eff_ns_mmq_2site_sq_dq_zq
+    from lib.dispersion.ns_r1rho_2site import ns_r1rho_2site
+    from lib.dispersion.ns_r1rho_3site import ns_r1rho_3site

 class Dispersion:
     def __init__(self, model=None, num_params=None, num_spins=None, 
num_frq=None, exp_types=None, values=None, errors=None, missing=None, 
frqs=None, frqs_H=None, cpmg_frqs=None, spin_lock_nu1=None, 
chemical_shifts=None, offset=None, tilt_angles=None, r1=None, 
relax_times=None, scaling_matrix=None, recalc_tau=True):


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