Re: r12867 - /1.3/gui/analyses/auto_rx_base.pyRe: r12867 - /1.3/gui/analyses/auto_rx_base.pyboth files are very simple. Example of VD: 0.1 0.4 0.01 0.4 ... This is in seconds. VD: 1 5 2 8 1 ... This is the number the block (CPMG pulse) will be applied. Both files are plain text files. I can send one tomorrow. Cheers Michael Am 08.06.2011 17:20, schrieb Edward d'Auvergne:
Ah, for the T2 here, the experiment is the standard one and not the relaxation dispersion version. The delay period is fixed, but the number of CPMG blocks is variable. So it would be VD rather than VC. Do you have an example VD file? Cheers, Edward On 8 June 2011 08:55, Michael Bieri<mbieri79@xxxxxxxxx> wrote:yes, VC is variable counter and VD variable delay. So in T2 experiments, the variable delay time can be set directly (in seconds). But for T2 experiments, the number of the fixed CPMG train is set. The time for CPMG pulse is fixed (sum of 180 deg pulse and surrounding delays on hetero nuc). I did not add labels to the buttons or the text box, but a help text is displayed when hovering over with the mouse. cheers Am 08.06.2011 16:38, schrieb Edward d'Auvergne:Good evening :) Do you know what VC stands for? Variable cycles? And VD is variable delays? For R1 and R2, the delay should be fixed and the only variable is the number of cycles. What do you think of the user giving the length of one cycle in seconds and then specifying the number of cycles, with the GUI automatically calculating the relaxation delay period? And what is the text field under the +VC button? For the deletion, I was thinking about that. The delete key is currently doing nothing, it is not mapped yet. I will try to catch that and clear the contents that are highlighted. Cheers, Edward On 8 June 2011 08:21, Michael Bieri<mbieri79@xxxxxxxxx> wrote:Good morning Edward I assume people are recording T1 and T2 experiments as pseudo 3D spectra (interleaved). The 3rd dimension is a stack of a series of different Tx experiments with varying relaxation delay. The way the relaxation delay is set is to create the VD (T1) or VC (T2) lists. VC lists are just used to set the number of cycles the defined CPMG pulse train will be applied. I think to have the option to read in these lists is very helpful. If people don't know what those lists mean, no problem, just write the values in manually. For the double click. I would like to be able to delete a peak file just by clicking to the grid and deleting the entry (or correcting if file was shifted). This seems not to be possible now. Cheers Michael Am 08.06.2011 15:52, schrieb Edward d'Auvergne:Hi, I'm not sure what VC and VD are exactly. This is cryptic NMR language, the Varian equivalents will be equally cryptic. Could you explain these? I would avoid using Bruker notation, or Varian for that matter, inside of relax. We need to be neutral. For the double click idea, I was playing with that yesterday and it seems to work well with Veto() calls, so I committed it. If we add a field above to allow the delay time to be set, and a column for the number of cycles, I think the + and +VD and +VC buttons could all be eliminated, as they become redundant. I also shifted your code into gui/components/spectrum.py into the Peak_intensities class, to keep a cleaner code separation. Cheers, Edward On 7 June 2011 12:47, Michael Bieri<mbieri79@xxxxxxxxx> wrote:Hi The VD and VC list are not an invention of me. Those list are used in Bruker spectrometers to set the variable delays in T1 and T2 experiments. We could add a wizard, but I think Bruker people know what to do. I have no idea how you set the experiment up on Varians. If somebody knows, we could implement this as well (to minimise any human introduced errors). The wx.grid function isn't that advanced. I am not sure if more options are possible (eg button in grid). The double click idea is nice. I will implement this. Cheers Michael Am 07.06.2011 19:32, schrieb Edward d'Auvergne:Hi Michael, I now see what the design is you are trying to achieve :) I.e. you input the time of one relaxation time block and the number of cycles, and relax calculates the times from that. I think that is a good idea! I would suggest to redesign the elements a bit though. - All the buttons and entry boxes on the left of the table could be deleted. - The "relaxation time block [s]" input element could be shifted to the block above, just under the "Unresolved residues:". - A third column added to the grid. - The column names would be "R2 peak lists", "Number of cycles", "Relaxation time [s]". - Double clicking on the first column would open the file open dialog. - Double clicking on the second would allow an integer to be input (and should be checked to be an integer). - The third column would be non-editable and would be automatically calculated when the number of cycles is input (assuming the time is given). What do you think? Cheers, Edward On 7 June 2011 03:12,<michael.bieri@xxxxxxxxxxxxx> wrote:Author: michaelbieri Date: Tue Jun 7 03:12:32 2011 New Revision: 12867 URL: http://svn.gna.org/viewcvs/relax?rev=12867&view=rev Log: Added import VC (variable counter) list function incl. space to sepcify counter time. Modified: 1.3/gui/analyses/auto_rx_base.py Modified: 1.3/gui/analyses/auto_rx_base.py URL: http://svn.gna.org/viewcvs/relax/1.3/gui/analyses/auto_rx_base.py?rev=12867&r1=12866&r2=12867&view=diff ============================================================================== --- 1.3/gui/analyses/auto_rx_base.py (original) +++ 1.3/gui/analyses/auto_rx_base.py Tue Jun 7 03:12:32 2011 @@ -179,6 +179,21 @@ self.gui.Bind(wx.EVT_BUTTON, self.load_vd, add_vd) button_sizer.Add(add_vd, 0, wx.ADJUST_MINSIZE, 0) + # Add Vc list import + if self.label =='R2': + add_vc = wx.Button(self.parent, -1, "+VC") + add_vc.SetToolTipString("Add VC (variable counter) list to automatically fill in R2 relaxation times.") + add_vc.SetMinSize((50, 50)) + self.gui.Bind(wx.EVT_BUTTON, self.load_vd, add_vc) + button_sizer.Add(add_vc, 0, wx.ADJUST_MINSIZE, 0) + + # Time of counter + label = wx.TextCtrl(self.parent, -1, "0") + label.SetToolTipString("Time of counter loop in seconds.") + label.SetMinSize((50, 20)) + label.SetFont(wx.Font(7, wx.DEFAULT, wx.NORMAL, wx.NORMAL, 0, "")) + button_sizer.Add(label, 0, 0 ,0) + # Pack buttons sizer.Add(button_sizer, 0, 0, 0) _______________________________________________ relax (http://nmr-relax.com) This is the relax-commits mailing list relax-commits@xxxxxxx 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_______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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-devel_______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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-devel_______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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-devel_______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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-devel_______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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-devel_______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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-devel_______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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-devel