Author: bugman
Date: Thu Jul 17 14:27:50 2014
New Revision: 24546
URL: http://svn.gna.org/viewcvs/relax?rev=24546&view=rev
Log:
Created the new minimise.grid_zoom user function.
This allows the grid zoom level to be set. The value is stored in the
current data pipe and will be
used later by the minimise.grid_search user function.
Modified:
branches/zooming_grid_search/pipe_control/minimise.py
branches/zooming_grid_search/user_functions/minimisation.py
Modified: branches/zooming_grid_search/pipe_control/minimise.py
URL:
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/pipe_control/minimise.py?rev=24546&r1=24545&r2=24546&view=diff
==============================================================================
--- branches/zooming_grid_search/pipe_control/minimise.py (original)
+++ branches/zooming_grid_search/pipe_control/minimise.py Thu Jul 17
14:27:50 2014
@@ -146,6 +146,33 @@
# Execute any queued commands.
processor.run_queue()
+
+
+def grid_zoom(level=0):
+ """Store the grid zoom level.
+
+ The zoom level can be one of:
+
+ 0: No zooming - setting this value will deactivate the zooming grid
search.
+ 1: 1st level zoom. This will activate the first zoom level. For
the frame order parameters, excluding the pivot point, this will halve the
grid upper and lower bound values and center the grid at the current
parameter values.
+ 2: 2nd level zoom. This will activate the second zoom level. For
the frame order parameters, excluding the pivot point, this will zoom the
grid upper and lower bound values by a quarter (1/2^2).
+ 3: 3rd level zoom. This will activate the second zoom level. For
the frame order parameters, excluding the pivot point, this will zoom the
grid upper and lower bound values by an eighth (1/2^3).
+
+
+ @keyword level: The zoom level.
+ @type level: int
+ """
+
+ # Test if the current data pipe exists.
+ pipes.test()
+
+ # Check the value.
+ allowed = [0, 1, 2, 3]
+ if level not in allowed:
+ raise RelaxError("The grid zoom level of '%s' is not valid, it must
be one of %s." % (level, allowed))
+
+ # Store the values.
+ cdp.grid_zoom_level = level
def minimise(min_algor=None, line_search=None, hessian_mod=None,
hessian_type=None, func_tol=None, grad_tol=None, max_iter=None,
constraints=True, scaling=True, verbosity=1, sim_index=None):
Modified: branches/zooming_grid_search/user_functions/minimisation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/user_functions/minimisation.py?rev=24546&r1=24545&r2=24546&view=diff
==============================================================================
--- branches/zooming_grid_search/user_functions/minimisation.py (original)
+++ branches/zooming_grid_search/user_functions/minimisation.py Thu Jul 17
14:27:50 2014
@@ -109,6 +109,47 @@
uf.menu_text = "&grid_search"
uf.gui_icon = "relax.grid_search"
uf.wizard_size = (800, 500)
+uf.wizard_image = WIZARD_IMAGE_PATH + 'minimise.png'
+
+
+# The minimise.grid_zoom user function.
+uf = uf_info.add_uf('minimise.grid_zoom')
+uf.title = "Change the zoom level for the grid search."
+uf.title_short = "Zooming grid search level."
+uf.add_keyarg(
+ name = "level",
+ default = 0,
+ py_type = "int",
+ desc_short = "zoom level",
+ desc = "The zooming grid search level.",
+ wiz_element_type = "combo",
+ wiz_combo_choices = [
+ "No zooming",
+ "1st level zoom",
+ "2nd level zoom",
+ "3rd level zoom"
+ ],
+ wiz_combo_data = [
+ 0,
+ 1,
+ 2,
+ 3
+ ],
+ wiz_read_only = True
+)
+# Description.
+uf.desc.append(Desc_container())
+uf.desc[-1].add_paragraph("This user function activates or deactivates a
zooming grid search. The zooming grid search level can be one of:")
+uf.desc[-1].add_item_list_element("0", "No zooming - setting this value will
deactivate the zooming grid search.")
+uf.desc[-1].add_item_list_element("1", "1st level zoom. This will activate
the first zoom level. For the frame order parameters, excluding the pivot
point, this will halve the grid upper and lower bound values and center the
grid at the current parameter values.")
+uf.desc[-1].add_item_list_element("2", "2nd level zoom. This will activate
the second zoom level. For the frame order parameters, excluding the pivot
point, this will zoom the grid upper and lower bound values by a quarter
(1/2^2).")
+uf.desc[-1].add_item_list_element("3", "3rd level zoom. This will activate
the second zoom level. For the frame order parameters, excluding the pivot
point, this will zoom the grid upper and lower bound values by an eighth
(1/2^3).")
+uf.desc[-1].add_paragraph("For all zoom levels, except for 0, the grid will
be centred at the current parameter values.")
+uf.backend = minimise.grid_zoom
+uf.menu_text = "&grid_zoom"
+uf.gui_icon = "relax.grid_search"
+uf.wizard_height_desc = 500
+uf.wizard_size = (900, 600)
uf.wizard_image = WIZARD_IMAGE_PATH + 'minimise.png'
r24546 - in /branches/zooming_grid_search: pipe_control/minimise.py user_functions/minimisation.py