Re: r14038 - /branches/xyz/generic_fns/structure/api_base.py -- August 01, 2011 - 17:31

Hi,

It is all passing on my machine now too.  Have you applied all the
svnmerge updates from the 1.3 line?  If so, and you give the go ahead,
I will merge the branch back into the 1.3 line.

Cheers.

Edward



On 1 August 2011 17:25, Han Sun <hasu@xxxxxxxxxxxxxxxxx> wrote:
> Hi Edward,
>
> The load_xyz has been included in API, so now the unit test does not show
> any error.
>
> Best
> Han
>
>
> On Aug 1, 2011, at 5:15 PM, hasu@xxxxxxxxxxxxxxxxx wrote:
>
> > Author: han87
> > Date: Mon Aug  1 17:15:17 2011
> > New Revision: 14038
> >
> > URL: http://svn.gna.org/viewcvs/relax?rev=14038&view=rev
> > Log:
> > Declaring the method load_xyz() in API.
> >
> > The code for declaring load_xyz() in API was added based on the code
> > 'load_pdb' in API and 'load_xyz' in internal.py.
> >
> > Modified:
> >    branches/xyz/generic_fns/structure/api_base.py
> >
> > Modified: branches/xyz/generic_fns/structure/api_base.py
> > URL:
> > http://svn.gna.org/viewcvs/relax/branches/xyz/generic_fns/structure/api_base.py?rev=14038&r1=14037&r2=14038&view=diff
> >
> > ==============================================================================
> > --- branches/xyz/generic_fns/structure/api_base.py (original)
> > +++ branches/xyz/generic_fns/structure/api_base.py Mon Aug  1 17:15:17
> > 2011
> > @@ -276,6 +276,36 @@
> >         raise RelaxImplementError
> >
> >
> > +    def load_xyz(self, file_path, read_mol=None, set_mol_name=None,
> > read_model=None, set_model_num=None, verbosity=False):
> > +        """Method for loading structures from a XYZ file.
> > +
> > +        @param file_path:       The full path of the XYZ file.
> > +        @type file_path:        str
> > +        @keyword read_mol:      The molecule(s) to read from the file,
> > independent of model.  The
> > +                                molecules are determined differently by
> > the different parsers, but
> > +                                are numbered consecutively from 1.  If
> > set to None, then all
> > +                                molecules will be loaded.
> > +        @type read_mol:         None, int, or list of int
> > +        @keyword set_mol_name:  Set the names of the molecules which are
> > loaded.  If set to None,
> > +                                then the molecules will be automatically
> > labelled based on the file
> > +                                name or other information.
> > +        @type set_mol_name:     None, str, or list of str
> > +        @keyword read_model:    The XYZ model to extract from the file.
> >  If set to None, then all
> > +                                models will be loaded.
> > +        @type read_model:       None, int, or list of int
> > +        @keyword set_model_num: Set the model number of the loaded
> > molecule.  If set to None, then
> > +                                the XYZ model numbers will be preserved,
> > if they exist.
> > +        @type set_model_num:    None, int, or list of int
> > +        @keyword verbosity:     A flag which if True will cause messages
> > to be printed.
> > +        @type verbosity:        bool
> > +        @return:                The status of the loading of the XYZ
> > file.
> > +        @rtype:                 bool
> > +        """
> > +
> > +        # Raise the error.
> > +        raise RelaxImplementError
> > +
> > +
> >     def model_loop(self, model=None):
> >         """Generator method for looping over the models in numerical
> > order.
> >
> >
> >
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