Hi Troels,
Note that the relax data store XML routines will handle a simply numpy
array already. With the system test I mention at
http://thread.gmane.org/gmane.science.nmr.relax.scm/24536/focus=7342,
maybe you should try storing this in the relax data store? That would
be the ultimate solution!
Cheers,
Edward
On 27 November 2014 at 16:43, <tlinnet@xxxxxxxxxxxxx> wrote:
Author: tlinnet
Date: Thu Nov 27 16:43:22 2014
New Revision: 26786
URL: http://svn.gna.org/viewcvs/relax?rev=26786&view=rev
Log:
Added a class instance object for handling and storing nmrglue data.
Task #7873 (https://gna.org/task/index.php?7873): Write wrapper function to
nmrglue, to read .ft2 files and process them.
Homepage: http://www.nmrglue.com/
Link to nmrglue discussion:
https://groups.google.com/forum/#!forum/nmrglue-discuss
The code is develop at Github: https://github.com/jjhelmus/nmrglue/
Google code: https://code.google.com/p/nmrglue/
Documentation: http://nmrglue.readthedocs.org/en/latest/index.html
Modified:
branches/nmrglue/lib/spectrum/objects.py
Modified: branches/nmrglue/lib/spectrum/objects.py
URL:
http://svn.gna.org/viewcvs/relax/branches/nmrglue/lib/spectrum/objects.py?rev=26786&r1=26785&r2=26786&view=diff
==============================================================================
--- branches/nmrglue/lib/spectrum/objects.py (original)
+++ branches/nmrglue/lib/spectrum/objects.py Thu Nov 27 16:43:22 2014
@@ -32,6 +32,37 @@
class Assignment:
"""A special container for a single assignment in a peak list."""
+
+class Nmrglue_data(list):
+ """The object used to represent a nmrglue data."""
+
+ def __init__(self):
+ """Set up the object."""
+
+
+ def add(self, file_path=None, dic=None, udic=None, data=None):
+ """Add a nmrglue data element.
+
+
+ @keyword file_path: The path to the spectrum.
+ @type file_path: str
+ @keyword dic: The data dictionary.
+ @type dic: dic
+ @keyword udic: The universal data dictionary.
+ @type udic: dic
+ @keyword data: The data as numpy array.
+ @type data: numpy array
+ """
+
+ # Add a new element.
+ self.append(Assignment())
+
+ # Store the data.
+ assign = self[-1]
+ assign.file_path = file_path
+ assign.dic = dic
+ assign.udic = udic
+ assign.data = data
class Peak_list(list):
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Re: r26786 - /branches/nmrglue/lib/spectrum/objects.py