Saturday, May 20, 2006

Minimise menu bar problem

Under KDE you can minimise the Analysis window. However, it doesn't have an entry in KDE's list of windows (only spectra get this), so you can't maximise it again. Workround top.deiconify() in the shell...

Chains and LinkSequentialSpinSystemsPopup

LinkSequentialSpinSystemsPopup ddidn't report chains for residues if there is more than one chain in the MolSystem. It does now ;-)



However, I have only modified it so chains will show when there are multiple chains present...

Friday, May 12, 2006

A feature with backup

If you have auto backup on in analysis and the directory you backup to is missing. If you try to switch auto backup off it will ask you if you want to create the directory... if you then say no it will say the directory can't be created and so it is not setting up automatic backups... If you say yes and you are on the wrong computer of course it will fail to create the directory and throw an error.

conclusion it seems to be doing input validation at the wrong places and assuming all exits require validation

Strange ones

A couple of strange corners in the ccpn datamodel

  1. Project doesn't have a parent Object field
  2. there are isotopes and isotopecodes
    1. isotopes are objects
    2. isotope codes are fixed length strings of the form 1H 13C etc
  3. you can't get an isotopecode from an isotope and vice versa without coding...

Friday, April 28, 2006

munging readline in analysis

some programs such as IPython and faetures such as command line hcacking require gnu readline. Here is what I did under ubuntu to get it going

  1. all this is using the version of python that you use to run analysis (you may need to set the environment variables TCL_LIBRARY etc to get i to work (see $CCPNMR_TOP_DIR/bin/analysis)
  2. this is using ccpns own downloaded python
  3. change to $CCPNMR_TOP_DIR/python2.4/Python-2.4.2/Modules/
  4. edit Setup and uncomment line at about line 160 which reads 'readline readline.c -lreadline -ltermcap'
  5. cd to $CCPNMR_TOP_DIR/python2.4/Python-2.4.2
  6. run python setup.py install




Get ipython in analysis

  1. download ipython http://ipython.scipy.org/dist/
  2. extract to your ccpnm directory tar ipython-0.7.1.fix1.tar.gz
  3. go to tar ipython-0.7.1
  4. type setup.py install where is the python you used to install analysis
  5. edit $CCPNMR_TOP_DIR/ccpnmr1.0/python/ccpnmr/analysis/AnalysisGui.py
  6. at about line 52 after import Tkinter put import IPython on a new line
  7. at about line 105 add:
    from IPython.Shell import IPShellEmbed

    ipshell = IPShellEmbed()

    ipshell()

Thursday, April 20, 2006

analysis tables widget

Two problems here
  1. the tables widget creates new rows on the fly (I guess) so the widths of the columns are constantly jumping around
  2. if you hide the rows in a table widget you get nice little + signs but which column is which when you want to reexpand them. Wouldn't a popup be better in general....

analysis spin systems editor

analysis, edit spin system dialog: you can display strips and display cells... So why is it missing a button with a name something like 'display resonances'.

Friday, April 07, 2006

Creation

Let there be light