Author: bugman Date: Wed Nov 25 18:38:08 2015 New Revision: 28105 URL: http://svn.gna.org/viewcvs/relax?rev=28105&view=rev Log: The PCA analysis function in the relax library is now returning data.
This includes the PCA values and vectors, and the per structure projections. Modified: trunk/lib/structure/pca.py Modified: trunk/lib/structure/pca.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/structure/pca.py?rev=28105&r1=28104&r2=28105&view=diff ============================================================================== --- trunk/lib/structure/pca.py (original) +++ trunk/lib/structure/pca.py Wed Nov 25 18:38:08 2015 @@ -82,6 +82,8 @@ @type algorithm: str @keyword num_modes: The number of PCA modes to calculate. @type num_modes: int + @return: The PCA values and vectors, and the per structure projections. + @rtype: numpy rank-1 array, numpy rank-3 array, numpy rank2 array """ # Init. @@ -121,3 +123,7 @@ # Truncation to the desired number of modes. values = values[:num_modes] + vectors = vectors[:,:num_modes].reshape((3, N, num_modes)) + + # Return the results. + return values, vectors, proj _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@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