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CCPNMR  March 2011

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Subject:

Re: Possible minor bug, feature suggestions, and a question

From:

Wayne Boucher <[log in to unmask]>

Reply-To:

CcpNmr software mailing list <[log in to unmask]>

Date:

Fri, 11 Mar 2011 17:00:00 +0000

Content-Type:

TEXT/PLAIN

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TEXT/PLAIN (112 lines)

Hello,

I just tried opening a new spectrum when the "New Contour File" dialog was 
open and it did appear in the pulldown menu for me.  So assuming that is 
the dialog you meant, I am wondering if there was some earlier exception 
which might have prevented that pulldown menu from being updated.

And on that redrawing issue, the place where I thought there might be a 
problem turned out not to be a problem, but I did find three places where 
there were unnecessary calls to redraw, so I have fixed those.  If you 
still notice anything like that though, let me know and tell me what you 
were doing at the time.  (So, for example, I noticed that there was an 
issue when I added/removed strips, and also when I changed the contours.)

Wayne

On Thu, 10 Mar 2011, Wayne Boucher wrote:

> Hello,
>
> On the bug front, that's probably down to a missing notifier, so I'll take a 
> look at that.
>
> On the 2D front, you are allowed to select visible windows of the new 
> spectrum when you open a spectrum or select visible spectra when you create a 
> new window but I guess the issue here is that when you open a 3D spectrum 
> which creates a new window then there is no way to specify until after the 
> fact that a 2D is not visible there, so I can see there is a problem.  And I 
> think I have just seen where there might be a re-drawing issue that you 
> noticed so I'll look better into that tomorrow.
>
> On the Xcode 4 front, that is the development environment for writing 
> iPhone/iPad/Mac apps and we don't use it for Analysis (because it is OSX 
> specific).
>
> Wayne
>
> On Thu, 10 Mar 2011, Fowler, Andrew wrote:
>
>> In using Analysis (2.1.5) and Format Converter fairly heavily over the past
>> couple of days, I've come across a relatively minor potential bug and 
>> couple
>> of possible improvements. Whether others agree with me on the improvements
>> is another matter.
>> 
>> The possible bug:
>> 
>> I had a project with 3 spectra open. I opened a few more spectra, set up
>> windows, and then tried to make contour files. The new spectra did not show
>> up in the pulldown in the create contour window until I saved, quit, and
>> reloaded the project. Not sure if this is recurring or a one off problem.
>> 
>> Feature/improvement requests:
>> 
>> 1. If I have a 3D window with the same X and Y axes as a 2D spectrum, the 
>> 2D
>> spectrum and any associated peaks appear in the 3D window visible in every
>> plane (ex. 2D HH TOCSY in a 3D HHN window or 13C-1H HMQC in a 3D HCN 
>> window,
>> both with N as the Z axis). Is it possible to make the default behaviour to
>> keep 2D data out of 3D windows, or at least make it an option/user
>> preference? I adjusted things in the windows panel to turn 2D spectra off 
>> in
>> 3D windows, but I get the impression it's still doing some background
>> display updates that slow things down when I change things in the 2D
>> spectra.
>> 
>> 2. In FormatConverter, would it be possible to remember the last path used
>> in the open file dialog? In importing multiple files from the same
>> directory, I had to change from the starting directory every time. I 
>> realize
>> this is entirely a convenience issue.
>> 
>> 3. Also in FC, when importing peaklists, it would be nice if FC could make 
>> a
>> semi-intelligent guess about which axis maps to what nucleus (DataDimRef). 
>> I
>> have HCN data that was collected with C and N effectively swapped and it
>> guesses wrong in all three dimensions. Again, it's easy enough to fix in 
>> the
>> pulldowns, but it should be easy enough to guess that a dimension with a
>> range from 8-78 ppm is probably 13C and not 1H.
>> 
>> The question:
>> 
>> I just saw that Apple released Xcode 4. Any idea how that will or won't
>> affect Analysis?
>> 
>> Andrew
>> 
>> --
>> Dr. Andrew Fowler                 | University of Iowa
>> Associate Director                | B291 Carver Biomedical Research 
>> Building
>> Medical NMR Facility              | Iowa City, IA 52242
>> 319-384-2937 (office)             | 319-335-7273 (fax)
>> [log in to unmask]
>> 
>> 
>> 
>> ________________________________
>> Notice: This UI Health Care e-mail (including attachments) is covered by 
>> the Electronic Communications Privacy Act, 18 U.S.C. 2510-2521, is 
>> confidential and may be legally privileged.  If you are not the intended 
>> recipient, you are hereby notified that any retention, dissemination, 
>> distribution, or copying of this communication is strictly prohibited. 
>> Please reply to the sender that you have received the message in error, 
>> then delete it.  Thank you.
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>

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