Author: bugman
Date: Thu Jul 24 09:38:46 2014
New Revision: 24694
URL: http://svn.gna.org/viewcvs/relax?rev=24694&view=rev
Log:
Changed the minimise.grid_zoom user function.
The zoom level can now be any floating point number or integer, including
negative values. The user
function docstring has been significantly expanded to explain the entire
zooming grid search
concept.
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=24694&r1=24693&r2=24694&view=diff
==============================================================================
--- branches/zooming_grid_search/pipe_control/minimise.py (original)
+++ branches/zooming_grid_search/pipe_control/minimise.py Thu Jul 24
09:38:46 2014
@@ -378,25 +378,12 @@
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
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=24694&r1=24693&r2=24694&view=diff
==============================================================================
--- branches/zooming_grid_search/user_functions/minimisation.py (original)
+++ branches/zooming_grid_search/user_functions/minimisation.py Thu Jul 24
09:38:46 2014
@@ -117,42 +117,26 @@
# 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.title = "Activate the zooming grid search by setting the zoom level."
+uf.title_short = "Zooming grid search activation."
uf.add_keyarg(
name = "level",
default = 0,
- py_type = "int",
+ py_type = "num",
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
+ desc = "The zooming grid search level. This can be any number, positive
or negative."
)
# 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.desc[-1].add_paragraph("The optimisation of a mathematical model normally
consists of two parts - a coarse grid search to find an initial set of
parameter values followed by the use of a high precision optimisation
algorithm to exactly find the local or global solution. But in certain
situations, for example where a parallelised grid search is advantageous, a
finer grid may be desired. The zooming grid search provides a more efficient
alternative to simply increasing the number of increments used in the initial
grid search. Note that in most situations, standard optimisation algorithms
will be by far computationally less expensive.")
+uf.desc[-1].add_paragraph("The zooming grid search can be activated via this
user function. After setting the desired zoom level, the original grid
search user function should be called again. The zoom level is used to
decrease the total area of the grid search. The grid width for each
dimension of the parameter space will be divided by 2**zoom_level. So a
level of 1 will halve all dimensions, a level of 2 will quarter the widths, a
level of 3 will be an eighth of the widths, etc.")
+uf.desc[-1].add_paragraph("The zooming algorithm proceeds as follows. The
new zoomed grid will be centred at the current parameter values. However if
the new grid is outside of the bounds of the original grid, the entire grid
will be translated so that it lies entirely within the original bounds. This
is to avoid grid points lying within undefined regions of the space. An
exception is when the zoom factor is negative, hence the new grid will be
larger than the original.")
+uf.desc[-1].add_paragraph("An example of using the zooming grid search is to
first perform a standard initial grid search, then set the zoom level to 1
and perform a second grid search. Continue for zoom levels 2, 3, etc. until
the desired fineness is obtained.")
uf.backend = minimise.grid_zoom
uf.menu_text = "&grid_zoom"
uf.gui_icon = "oxygen.actions.zoom-in"
uf.wizard_height_desc = 500
-uf.wizard_size = (900, 600)
+uf.wizard_size = (900, 700)
uf.wizard_image = WIZARD_IMAGE_PATH + 'minimise.png'
r24694 - in /branches/zooming_grid_search: pipe_control/minimise.py user_functions/minimisation.py