IFEFFIT: Writing more than 16 arrays with write_data()
Hi Norbert, (Replying to the whole group this time....) On Wed, 3 Nov 2004, Norbert Weiher wrote:
Matt,
I was just discussing with Bruce about exporting more than 15 sets with the write_data() command. I am doing fits with lots of paths and like to have it exported to one file... would it be difficult to increase the number of arrays exportable by this command above 16 in IFEFFIT?
It would not be difficult, and the current limit is definitely too low. I think it's a two line fix. But there will still be a finite limit of number of arrays. So: is 100 arrays enough? Do you need a fixed source kit or dll? And how quickly? This doesn't seem like a full release change to me. I haven't made any source changes to the stable distribution since July. So a question for Bruce and everyone else: Are there any other bug reports or suggestions for changes to the core? --Matt
Matt, I think 100 is more than enough for most of us - I would have difficulties seeing a plot with 99 curves in it :) Concerning the urgency: I can survive fine with the 16 groups by now - it would just be great to have more at hand. If you have some time left, I would appreciate if you could put it in, if not, I can wait a little. Cheers, Norbert -- Dr. rer. nat. Norbert Weiher (weiher@chem.ethz.ch) Institute for Chemical and Bioengineering - ETH Hönggerberg HCI E 117 - 8093 Zürich - Phone: +41 1 63 3 48 32
On Wednesday 03 November 2004 8:44 pm, Matt Newville wrote:
Hi Norbert,
(Replying to the whole group this time....)
On Wed, 3 Nov 2004, Norbert Weiher wrote:
Matt,
I was just discussing with Bruce about exporting more than 15 sets with the write_data() command. I am doing fits with lots of paths and like to have it exported to one file... would it be difficult to increase the number of arrays exportable by this command above 16 in IFEFFIT?
It would not be difficult, and the current limit is definitely too low. I think it's a two line fix. But there will still be a finite limit of number of arrays. So: is 100 arrays enough? Do you need a fixed source kit or dll? And how quickly?
This doesn't seem like a full release change to me. I haven't made any source changes to the stable distribution since July. So a question for Bruce and everyone else: Are there any other bug reports or suggestions for changes to the core?
I agree that 16 is an artifically low number. Upping it to 100 would be dandy. Personally, I am in no huge hurry. Norbert is the first person to complain about the 15-group limit and there is a simple enough work-around. Whenever you get around to a new release -- that's good enough for me. When you do get around to fixing this, it would be nice if you could make a &n_output_arrays (or some such) scalar so that A&A don't have to hard-wire a limit to the maximum number of output columns, but can query ifeffit for the number it supports. Thanx, B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
participants (3)
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Bruce Ravel -
Matt Newville -
Norbert Weiher