Author: bugman
Date: Wed Sep 19 16:19:47 2012
New Revision: 17511
URL: http://svn.gna.org/viewcvs/relax?rev=17511&view=rev
Log:
Additions to the scripting section of the relaxation curve-fitting chapter of
the user manual.
Modified:
trunk/docs/latex/curvefit.tex
trunk/docs/latex/intro.tex
Modified: trunk/docs/latex/curvefit.tex
URL:
http://svn.gna.org/viewcvs/relax/trunk/docs/latex/curvefit.tex?rev=17511&r1=17510&r2=17511&view=diff
==============================================================================
--- trunk/docs/latex/curvefit.tex (original)
+++ trunk/docs/latex/curvefit.tex Wed Sep 19 16:19:47 2012
@@ -151,6 +151,8 @@
\subsection{The sample script}
+The following is a verbatim copy of the contents of the
\file{sample\_scripts/relax\_fit.py} file. If your copy of the sample script
is different than that below, please send an email to the relax-devel mailing
list\index{mailing list!relax-devel} to tell the relax developers that the
manual is out of date (see section~\ref{sect: relax-devel mailing list} on
page~\pageref{sect: relax-devel mailing list}). You will need to first copy
this script to a dedicated analysis directory containing peak lists, a PDB
file and a file listing unresolved spin systems, and then modify its contents
to suit your specific analysis. The script contents are:
+
\begin{exampleenv}
\# Script for relaxation curve-fitting. \\
\\
@@ -249,6 +251,7 @@
state.save(`rx.save', force=True)
\end{exampleenv}
+The next sections will break this script down into its logical components
and explain how these parts will be interpreted by relax. To execute this
script, please see section~\ref{sect: scripting} on page~\pageref{sect:
scripting} for details.
% Initialisation of the data pipe.
@@ -323,7 +326,7 @@
GLY12N-HN 110.525 9.028 90144
\end{verbatim}}
-By supplying the \promptstring{int\_col} argument to the
\uf{spectrum.read\_intensities} user function, this can be changed. A
typical XEasy file will look like:
+By supplying the \keyword{int\_col} argument to the
\uf{spectrum.read\_intensities} user function, this can be changed. A
typical XEasy file will look like:
{\scriptsize \begin{verbatim}
No. Color w1 w2 ass. in w1 ass. in w2 Volume Vol.
Err. Method Comment
Modified: trunk/docs/latex/intro.tex
URL:
http://svn.gna.org/viewcvs/relax/trunk/docs/latex/intro.tex?rev=17511&r1=17510&r2=17511&view=diff
==============================================================================
--- trunk/docs/latex/intro.tex (original)
+++ trunk/docs/latex/intro.tex Wed Sep 19 16:19:47 2012
@@ -355,7 +355,7 @@
% Scripting.
%~~~~~~~~~~~
-\subsection{Scripting}
+\subsection{Scripting} \label{sect: scripting}
\index{scripting|textbf}
What ever is done within the prompt is also accessible through scripting
(Figure~\ref{fig: relax script}). First type your commands into a text file
ending in \file{*.py}. To use this mode of relax, you will need to open up a
terminal in your respective operating system:
r17511 - in /trunk/docs/latex: curvefit.tex intro.tex