Hi Edward. Do you fix this?
Thanks. Best Troels 2014-06-25 20:06 GMT+02:00 Edward d'Auvergne <edw...@nmr-relax.com>: > Hi Troels, > > For this change, it might be better to not output a message to > sys.stderr. For relax users who are not interested in a dispersion > analysis, there is no need to bother them. What I would suggest for > safety is, in the backend for the relax_disp.select_model user > function, that we raise a RelaxError if one of these models are > selected but numpy.einsum does not exist. The RelaxError message > could be that numpy version 1.6 or greater is required for the numeric > dispersion models. A message could also appear in the GUI when the > execute button is clicked on, if these models have been selected. > That should be the best for the user experience when they have numpy < > 1.6. > > Regards, > > Edward > > > > On 25 June 2014 19:31, <tlin...@nmr-relax.com> 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): > > > > > > _______________________________________________ > > relax (http://www.nmr-relax.com) > > > > This is the relax-commits mailing list > > relax-comm...@gna.org > > > > 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 > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel mailing list > relax-devel@gna.org > > 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-devel > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org 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-devel
