r19323 - in /branches/relax_disp: specific_analyses/relax_disp.py user_functions/relax_disp.py -- April 03, 2013 - 14:03

Author: bugman
Date: Wed Apr  3 14:03:36 2013
New Revision: 19323

URL: http://svn.gna.org/viewcvs/relax?rev=19323&view=rev
Log:
Created the relax_disp.spin_lock_field user function.

This is used to set the spin-lock field strength of a given R1rho spectrum.


Modified:
    branches/relax_disp/specific_analyses/relax_disp.py
    branches/relax_disp/user_functions/relax_disp.py

Modified: branches/relax_disp/specific_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp.py?rev=19323&r1=19322&r2=19323&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp.py Wed Apr  3 14:03:36 
2013
@@ -29,7 +29,7 @@
 from re import match, search
 
 # relax module imports.
-from lib.errors import RelaxError, RelaxFuncSetupError, RelaxLenError, 
RelaxNoModelError, RelaxNoSequenceError
+from lib.errors import RelaxError, RelaxFuncSetupError, RelaxLenError, 
RelaxNoModelError, RelaxNoSequenceError, RelaxNoSpectraError
 from minfx.generic import generic_minimise
 from pipe_control import pipes
 from pipe_control.mol_res_spin import exists_mol_res_spin_data, return_spin, 
spin_loop
@@ -263,6 +263,30 @@
 
         # Set up the model.
         self.model_setup(model, params)
+
+
+    def _spin_lock_field(self, spectrum_id=None, field=None):
+        """Set the spin-lock field strength (nu1) for the given spectrum.
+
+        @keyword spectrum_id:   The spectrum ID string.
+        @type spectrum_id:      str
+        @keyword field:         The spin-lock field strength (nu1) in Hz.
+        @type field:            int or float
+        """
+
+        # Test if the spectrum ID exists.
+        if spectrum_id not in cdp.spectrum_ids:
+            raise RelaxNoSpectraError(spectrum_id)
+
+        # Initialise the global nu1 data structure if needed.
+        if not hasattr(cdp, 'spin_lock_nu1'):
+            cdp.spin_lock_nu1 = {}
+
+        # Add the frequency, converting to a float if needed.
+        cdp.spin_lock_nu1[spectrum_id] = float(field)
+
+        # Printout.
+        print("Setting the '%s' spectrum spin-lock field strength to %s 
kHz." % (spectrum_id, cdp.spin_lock_nu1[spectrum_id]/1000.0))
 
 
     def assemble_param_vector(self, spin=None, sim_index=None):

Modified: branches/relax_disp/user_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/user_functions/relax_disp.py?rev=19323&r1=19322&r2=19323&view=diff
==============================================================================
--- branches/relax_disp/user_functions/relax_disp.py (original)
+++ branches/relax_disp/user_functions/relax_disp.py Wed Apr  3 14:03:36 2013
@@ -271,3 +271,35 @@
 uf.wizard_height_desc = 500
 uf.wizard_size = (1000, 700)
 uf.wizard_apply_button = False
+
+
+# The relax_disp.spin_lock_field user function.
+uf = uf_info.add_uf('relax_disp.spin_lock_field')
+uf.title = "Set the relaxation dispersion spin-lock field strength (nu1)."
+uf.title_short = "Spin-lock field strength."
+uf.add_keyarg(
+    name = "spectrum_id",
+    py_type = "str",
+    desc_short = "spectrum ID string",
+    desc = "The spectrum ID string to associate the spin-lock field strength 
to.",
+    wiz_element_type = 'combo',
+    wiz_combo_iter = spectrum.get_ids,
+    wiz_read_only = True
+)
+uf.add_keyarg(
+    name = "field",
+    py_type = "num",
+    desc_short = "field strength nu1 (Hz)",
+    desc = "The spin-lock field strength, nu1, in Hz."
+)
+# Description.
+uf.desc.append(Desc_container())
+uf.desc[-1].add_paragraph("This sets the spin-lock field strength, nu1, for 
the specified R1rho spectrum in Hertz.")
+# Prompt examples.
+uf.desc.append(Desc_container("Prompt examples"))
+uf.desc[-1].add_paragraph("To set a spin-lock field strength of 2.1 kHz for 
the spectrum 'nu1_2.1kHz_relaxT_0.010', type one of:")
+uf.desc[-1].add_prompt("relax> relax_disp.spin_lock_field(2100, 
'nu1_2.1kHz_relaxT_0.010')")
+uf.desc[-1].add_prompt("relax> relax_disp.spin_lock_field(field=2100, 
spectrum_id='nu1_2.1kHz_relaxT_0.010')")
+uf.backend = relax_disp_obj._spin_lock_field
+uf.menu_text = "spin_lock_&field"
+uf.wizard_size = (800, 500)