Author: bugman
Date: Wed Jan 19 15:53:41 2011
New Revision: 12347
URL: http://svn.gna.org/viewcvs/relax?rev=12347&view=rev
Log:
Created a sample script to create a CSV file of model-free results.
This is based on the LaTeX generation script.
Added:
1.3/sample_scripts/mf_table_csv.py
- copied, changed from r12346, 1.3/sample_scripts/mf_table_latex.py
Copied: 1.3/sample_scripts/mf_table_csv.py (from r12346,
1.3/sample_scripts/mf_table_latex.py)
URL:
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/mf_table_csv.py?p2=1.3/sample_scripts/mf_table_csv.py&p1=1.3/sample_scripts/mf_table_latex.py&r1=12346&r2=12347&rev=12347&view=diff
==============================================================================
--- 1.3/sample_scripts/mf_table_latex.py (original)
+++ 1.3/sample_scripts/mf_table_csv.py Wed Jan 19 15:53:41 2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2007-2009 Edward d'Auvergne
#
+# Copyright (C) 2007-2011 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -20,20 +20,8 @@
#
#
###############################################################################
-"""Script for converting the model-free results into a LaTeX table.
+"""Script for converting the model-free results into a CSV table."""
-The longtable LaTeX package is necessary to allow the table to span multiple
pages. This table also
-uses the more elegant booktable format. The packages can be included using
the LaTeX preamble
-commands:
-
-\usepackage{longtable}
-\usepackage{booktabs}
-
-Assuming the file name 'results.tex', the resultant table can be placed into
a LaTeX manuscript
-with the command:
-
-\input{results}
-"""
# Python module imports.
from string import replace
@@ -44,12 +32,12 @@
# Name of the results file.
-RESULTS_FILE = 'final'
+RESULTS_FILE = 'results'
-class Latex:
+class CSV:
def __init__(self):
- """Convert the final results into a LaTeX table."""
+ """Convert the final results into a CSV table."""
# Create the data pipe.
pipe.create(RESULTS_FILE, 'mf')
@@ -58,106 +46,40 @@
results.read(RESULTS_FILE, dir=None)
# Open the file.
- self.file = open('results.tex', 'w')
-
- # LaTeX header.
- self.latex_header()
+ self.file = open('results.csv', 'w')
# Table headings.
self.headings()
- # Table footer (longtable repeating footers come just after the
headings).
- self.footer()
-
# The table body.
self.table_body()
-
- # LaTeX ending.
- self.latex_ending()
# Close the file.
self.file.close()
- def footer(self):
- """Create the end of the table."""
-
- # Bottomrule.
- self.file.write("\\bottomrule\n")
-
- # End the repeating footer.
- self.file.write("\\endfoot\n\n")
-
-
def headings(self):
- """Create the LaTeX table headings."""
-
- # Spacing.
- self.file.write("\\\\[-5pt]\n")
-
- # Toprule.
- self.file.write("\\toprule\n\n")
+ """Create the table headings."""
# Headings.
- self.file.write("% Headings.\n")
- self.file.write("Spin &%\n")
- self.file.write("Model &%\n")
- self.file.write("\multicolumn{2}{c}{$S^2$} &%\n")
- self.file.write("\multicolumn{2}{c}{$S^2_f$} &%\n")
- self.file.write("\multicolumn{2}{c}{$\\tau_e < 100$ or $\\tau_f$}
&%\n")
- self.file.write("\multicolumn{2}{c}{$\\tau_e > 100$ or $\\tau_s$}
&%\n")
- self.file.write("\multicolumn{2}{c}{$R_{ex}$ (" + repr(cdp.frq[0] /
1e6) + " MHz)} \\\\\n")
+ self.file.write("Spin, ")
+ self.file.write("Model, ")
+ self.file.write("S2, ")
+ self.file.write("S2f, ")
+ self.file.write("te < 100 or tf, ")
+ self.file.write("te > 100 or ts, ")
+ self.file.write("Rex (" + repr(cdp.frq[0] / 1e6) + " MHz)")
self.file.write("\n")
# Units.
- self.file.write("% Units.\n")
- self.file.write("&%\n")
- self.file.write("&%\n")
- self.file.write("\multicolumn{2}{c}{} &%\n")
- self.file.write("\multicolumn{2}{c}{} &%\n")
- self.file.write("\multicolumn{2}{c}{($ps$)} &%\n")
- self.file.write("\multicolumn{2}{c}{($ps$)} &%\n")
- self.file.write("\multicolumn{2}{c}{($s^{-1}$)} \\\\\n")
+ self.file.write(",")
+ self.file.write(",")
+ self.file.write(",")
+ self.file.write(",")
+ self.file.write("ps,")
+ self.file.write("ps,")
+ self.file.write("s^-1")
self.file.write("\n")
-
- # Midrule.
- self.file.write("\\midrule\n")
-
- # End the repeating heading.
- self.file.write("\\endhead\n\n")
-
-
- def latex_ending(self):
- """Create the end of the table."""
-
- # End the longtable environment.
- self.file.write("\\end{longtable}\n")
-
- # End the font size.
- self.file.write("\\end{small}\n")
-
-
- def latex_header(self):
- """Create the LaTeX header.
-
- This function will need to be heavily modified to suit your needs.
- """
-
- # Font size.
- self.file.write("% Small font.\n")
- self.file.write("\\begin{small}\n\n")
-
- # The longtable environment.
- self.file.write("% The longtable environment.\n")
- self.file.write("\\begin{longtable}{l l r @{$\\pm$} l r @{$\\pm$} l
r @{$\\pm$} l r @{$\\pm$} l r @{$\\pm$} l}\n\n")
-
- # The caption.
- self.file.write("% Caption.\n")
- self.file.write("\\caption[Sample list of figures caption]{Sample
full caption}\n\n")
-
- # The LaTeX label.
- self.file.write("% Label.\n")
- self.file.write("\\label{table: model-free results}\n\n")
def table_body(self):
@@ -166,81 +88,77 @@
This function need not be modified.
"""
- # Comment.
- self.file.write("% The table body.\n")
-
# Loop over the spin systems.
for spin, spin_id in spin_loop(return_id=True):
# The spin ID string.
- spin_id = replace(spin_id, '&', '\&')
- self.file.write("%-20s & " % (spin_id))
+ self.file.write("%s, " % (spin_id))
# The spin is not selected.
if not spin.select:
- self.file.write("\\multicolumn{11}{c}{} \\\\\n")
+ self.file.write("\n")
continue
# The model-free model.
if hasattr(spin, 'model'):
- self.file.write("$%s$ & " % spin.model)
+ self.file.write("%s, " % spin.model)
else:
- self.file.write("\\multicolumn{11}{c}{} \\\\\n")
+ self.file.write("\n")
continue
# S2.
if spin.s2 == None:
- self.file.write("%25s & " % "\\multicolumn{2}{c}{}")
+ self.file.write(", ")
elif not hasattr(spin, 's2_err'):
- self.file.write("%24s & " % "\\multicolumn{2}{c}{%.3f}" %
spin.s2)
+ self.file.write("%.3f, " % spin.s2)
else:
- self.file.write("%11.3f & %11.3f & " % (spin.s2,
spin.s2_err))
+ self.file.write("%.3f±%.3f, " % (spin.s2, spin.s2_err))
# S2f.
if spin.s2f == None:
- self.file.write("%25s & " % "\\multicolumn{2}{c}{}")
+ self.file.write(", ")
elif not hasattr(spin, 's2f_err'):
- self.file.write("%24s & " % "\\multicolumn{2}{c}{%.3f}" %
spin.s2f)
+ self.file.write("%.3f, " % spin.s2f)
else:
- self.file.write("%11.3f & %11.3f & " % (spin.s2f,
spin.s2f_err))
+ self.file.write("%.3f±%.3f, " % (spin.s2f, spin.s2f_err))
# Fast motion (te < 100 ps or tf).
if spin.te != None and spin.te <= 100 * 1e-12:
if not hasattr(spin, 'te_err'):
- self.file.write("%27s & " % ("\\multicolumn{2}{c}{%.2f}"
% (spin.te * 1e12)))
+ self.file.write("%.2f, " % (spin.te * 1e12))
else:
- self.file.write("%12.2f & %12.2f & " % (spin.te * 1e12,
spin.te_err * 1e12))
+ self.file.write("%.2f±%.2f, " % (spin.te * 1e12,
spin.te_err * 1e12))
elif spin.tf != None:
if not hasattr(spin, 'tf_err'):
- self.file.write("%27s & " % ("\\multicolumn{2}{c}{%.2f}"
% (spin.tf * 1e12)))
+ self.file.write("%.2f, " % (spin.tf * 1e12))
else:
- self.file.write("%12.2f & %12.2f & " % (spin.tf * 1e12,
spin.tf_err * 1e12))
+ self.file.write("%.2f±%.2f, " % (spin.tf * 1e12,
spin.tf_err * 1e12))
else:
- self.file.write("%27s & " % "\\multicolumn{2}{c}{}")
+ self.file.write(", ")
# Slow motion (te > 100 ps or ts).
if spin.te != None and spin.te > 100 * 1e-12:
if not hasattr(spin, 'te_err'):
- self.file.write("%27s & " % ("\\multicolumn{2}{c}{%.2f}"
% (spin.te * 1e12)))
+ self.file.write("%.2f, " % (spin.te * 1e12))
else:
- self.file.write("%12.2f & %12.2f & " % (spin.te * 1e12,
spin.te_err * 1e12))
+ self.file.write("%.2f±%.2f, " % (spin.te * 1e12,
spin.te_err * 1e12))
elif spin.ts != None:
if not hasattr(spin, 'ts_err'):
- self.file.write("%27s & " % ("\\multicolumn{2}{c}{%.2f}"
% (spin.ts * 1e12)))
+ self.file.write("%.2f, " % (spin.ts * 1e12))
else:
- self.file.write("%12.2f & %12.2f & " % (spin.ts * 1e12,
spin.ts_err * 1e12))
+ self.file.write("%.2f±%.2f, " % (spin.ts * 1e12,
spin.ts_err * 1e12))
else:
- self.file.write("%27s & " % "\\multicolumn{2}{c}{}")
+ self.file.write(", ")
# Rex.
if spin.rex == None:
- self.file.write("%27s \\\\\n" % "\\multicolumn{2}{c}{}")
+ self.file.write(", ")
elif not hasattr(spin, 'rex_err'):
- self.file.write("%27s \\\\\n" % ("\\multicolumn{2}{c}{%.3f}"
% (spin.rex * (2.0 * pi * spin.frq[0])**2)))
+ self.file.write("%.3f, " % (spin.rex * (2.0 * pi *
spin.frq[0])**2))
else:
- self.file.write("%12.3f & %12.3f \\\\\n" % (spin.rex * (2.0
* pi * spin.frq[0])**2, spin.rex_err * (2.0 * pi * spin.frq[0])**2))
+ self.file.write("%.3f±%.3f, " % (spin.rex * (2.0 * pi *
spin.frq[0])**2, spin.rex_err * (2.0 * pi * spin.frq[0])**2))
- # Start a new line.
- self.file.write("\n")
+ # Start a new line.
+ self.file.write("\n")
-Latex()
+CSV()
r12347 - /1.3/sample_scripts/mf_table_csv.py