Thank you for making all these Numeric to numpy changes Seb. This should helping to speed up the maturation of the 1.3 line.
Cheers, Edward On Jan 17, 2008 11:00 PM, <[EMAIL PROTECTED]> wrote: > Author: semor > Date: Thu Jan 17 23:00:51 2008 > New Revision: 4848 > > URL: http://svn.gna.org/viewcvs/relax?rev=4848&view=rev > Log: > Converted generic_fns modules from Numeric to numpy. > > As point in a post by Edward d'Auvergne (minfx-devel mailing list, see > below), the select_sim array > (which calls 'ones()') was specified as a integer array. > https://mail.gna.org/public/minfx-commits/2008-01/msg00004.html (Message-id: > <[EMAIL PROTECTED]>) > > > Modified: > 1.3/generic_fns/angles.py > 1.3/generic_fns/diffusion_tensor.py > 1.3/generic_fns/grace.py > 1.3/generic_fns/monte_carlo.py > 1.3/generic_fns/structure.py > > Modified: 1.3/generic_fns/angles.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/generic_fns/angles.py?rev=4848&r1=4847&r2=4848&view=diff > ============================================================================== > --- 1.3/generic_fns/angles.py (original) > +++ 1.3/generic_fns/angles.py Thu Jan 17 23:00:51 2008 > @@ -22,7 +22,7 @@ > > # Python module imports. > from math import acos, sin > -from Numeric import dot > +from numpy import dot > > # relax module imports. > from data import Data as relax_data_store > > Modified: 1.3/generic_fns/diffusion_tensor.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/generic_fns/diffusion_tensor.py?rev=4848&r1=4847&r2=4848&view=diff > ============================================================================== > --- 1.3/generic_fns/diffusion_tensor.py (original) > +++ 1.3/generic_fns/diffusion_tensor.py Thu Jan 17 23:00:51 2008 > @@ -1538,7 +1538,7 @@ > # Spheroid. > if cdp.diff_tensor.type == 'spheroid': > # Initialise. > - Dpar = zeros(3, Float64) > + Dpar = zeros(3, float64) > > # Trig. > sin_theta = sin(cdp.diff_tensor.theta) > @@ -1557,9 +1557,9 @@ > # Ellipsoid. > if cdp.diff_tensor.type == 'ellipsoid': > # Initialise. > - Dx = zeros(3, Float64) > - Dy = zeros(3, Float64) > - Dz = zeros(3, Float64) > + Dx = zeros(3, float64) > + Dy = zeros(3, float64) > + Dz = zeros(3, float64) > > # Trig. > sin_alpha = sin(cdp.diff_tensor.alpha) > > Modified: 1.3/generic_fns/grace.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/generic_fns/grace.py?rev=4848&r1=4847&r2=4848&view=diff > ============================================================================== > --- 1.3/generic_fns/grace.py (original) > +++ 1.3/generic_fns/grace.py Thu Jan 17 23:00:51 2008 > @@ -21,7 +21,7 @@ > > ############################################################################### > > # Python module imports. > -from Numeric import array > +from numpy import array > from os import system > from re import match > > > Modified: 1.3/generic_fns/monte_carlo.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/generic_fns/monte_carlo.py?rev=4848&r1=4847&r2=4848&view=diff > ============================================================================== > --- 1.3/generic_fns/monte_carlo.py (original) > +++ 1.3/generic_fns/monte_carlo.py Thu Jan 17 23:00:51 2008 > @@ -23,7 +23,7 @@ > # Python module imports. > from copy import deepcopy > from math import sqrt > -from Numeric import ones > +from numpy import ones > from random import gauss > > # relax module imports. > @@ -331,7 +331,7 @@ > > # Create the selected simulation array with all simulations selected. > if all_select_sim == None: > - select_sim = ones(number) > + select_sim = ones(number, int) > > # Loop over the instances. > for instance in xrange(num_instances): > @@ -353,7 +353,7 @@ > @params all_select_sim: The selection status of the Monte Carlo > simulations. The first > dimension of this matrix corresponds to the simulation and the > second corresponds to the > instance. > - @type all_select_sim: Numeric matrix (int) > + @type all_select_sim: numpy matrix (int) > """ > > # Arguments. > > Modified: 1.3/generic_fns/structure.py > URL: > http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure.py?rev=4848&r1=4847&r2=4848&view=diff > ============================================================================== > --- 1.3/generic_fns/structure.py (original) > +++ 1.3/generic_fns/structure.py Thu Jan 17 23:00:51 2008 > @@ -22,7 +22,7 @@ > > # Python module imports. > from math import sqrt, cos, pi, sin > -from Numeric import Float64, arccos, dot, zeros > +from numpy import arccos, dot, float64, zeros > from os import F_OK, access > from re import compile, match > import Scientific.IO.PDB > @@ -201,7 +201,7 @@ > print "Calculating the centre of mass." > > # Initialise the centre of mass. > - R = zeros(3, Float64) > + R = zeros(3, float64) > > # Initialise the total mass. > M = 0.0 > @@ -635,7 +635,7 @@ > @param res_num: The residue number. > @type res_num: int > @param R: The centre of mass. > - @type R: Numeric array (Float64) > + @type R: numpy array (float64) > @param i: The Monte Carlo simulation index. > @type i: int > @return: None > @@ -725,7 +725,7 @@ > @param res_num: The residue number. > @type res_num: int > @param R: The centre of mass. > - @type R: Numeric array (Float64) > + @type R: numpy array (float64) > @param i: The Monte Carlo simulation index. > @type i: int > @return: None > @@ -1075,13 +1075,13 @@ > raise RelaxError, "The increment value of " + `inc` + " must be > an even number." > > # Generate the increment values of u. > - u = zeros(inc, Float64) > + u = zeros(inc, float64) > val = 1.0 / float(inc) > for i in xrange(inc): > u[i] = float(i) * val > > # Generate the increment values of v. > - v = zeros(inc/2+2, Float64) > + v = zeros(inc/2+2, float64) > val = 1.0 / float(inc/2) > for i in xrange(1, inc/2+1): > v[i] = float(i-1) * val + val/2.0 > @@ -1584,7 +1584,7 @@ > > # Initialise. > vector_array = [] > - ave_vector = zeros(3, Float64) > + ave_vector = zeros(3, float64) > > # Number of structures. > num_str = len(relax_data_store.pdb[self.run].structures) > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-commits mailing list > [EMAIL PROTECTED] > > 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://nmr-relax.com) This is the relax-devel mailing list [email protected] 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
