Author: tlinnet
Date: Fri Jan 16 23:20:04 2015
New Revision: 27209
URL: http://svn.gna.org/viewcvs/relax?rev=27209&view=rev
Log:
Extended user function monte_carlo.create_data() to accept
'method="sum_squares"', to create Monte-Carlo data.
Task #7882 (https://gna.org/task/?7882): Implement Monte-Carlo simulation,
where errors are generated with width of standard deviation or residuals.
Modified:
trunk/user_functions/monte_carlo.py
Modified: trunk/user_functions/monte_carlo.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/user_functions/monte_carlo.py?rev=27209&r1=27208&r2=27209&view=diff
==============================================================================
--- trunk/user_functions/monte_carlo.py (original)
+++ trunk/user_functions/monte_carlo.py Fri Jan 16 23:20:04 2015
@@ -76,13 +76,13 @@
desc_short = "method",
desc = "The simulation method.",
wiz_element_type = "combo",
- wiz_combo_choices = ["Monte Carlo", "Bootstrapping"],
- wiz_combo_data = ["back_calc", "direct"],
+ wiz_combo_choices = ["Monte Carlo", "Bootstrapping", "STD from sums of
squares"],
+ wiz_combo_data = ["back_calc", "direct", "sum_squares"],
wiz_read_only = True
)
# Description.
uf.desc.append(Desc_container())
-uf.desc[-1].add_paragraph("The method can either be set to back
calculation (Monte Carlo) or direct (bootstrapping), the choice of which
determines the simulation type. If the values or parameters are calculated
rather than minimised, this option will have no effect. Errors should only
be propagated via Monte Carlo simulations if errors have been measured. ")
+uf.desc[-1].add_paragraph("The method can either be set to back
calculation (Monte Carlo) or direct (bootstrapping) or sums of squares (STD
from sums of squares), the choice of which determines the simulation type.
If the values or parameters are calculated rather than minimised, this
option will have no effect. Errors should only be propagated via Monte
Carlo simulations if errors have been measured. 'STD from sums of squares'
is where errors are drawn from a distribution of sums of squares of the
residual.")
uf.desc[-1].add_paragraph("For error analysis, the method should be set to
back calculation which will result in proper Monte Carlo simulations. The
data used for each simulation is back calculated from the minimised model
parameters and is randomised using Gaussian noise where the standard
deviation is from the original error set. When the method is set to back
calculation, this function should only be called after the model is fully
minimised.")
uf.desc[-1].add_paragraph("The simulation type can be changed by setting
the method to direct. This will result in bootstrapping simulations which
cannot be used in error analysis (and which are no longer Monte Carlo
simulations). However, these simulations are required for certain model
selection techniques (see the documentation for the model selection user
function for details), and can be used for other purposes. Rather than the
data being back calculated from the fitted model parameters, the data is
generated by taking the original data and randomising using Gaussian noise
with the standard deviations set to the original error set.")
uf.desc.append(monte_carlo_desc)
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Re: r27209 - /trunk/user_functions/monte_carlo.py