Author: bugman
Date: Fri Feb 19 11:09:06 2010
New Revision: 10766
URL: http://svn.gna.org/viewcvs/relax?rev=10766&view=rev
Log:
Converted write_multi_header() to write_xy_header() and simplified the args
by expecting [X, Y] pairs.
Modified:
1.3/generic_fns/grace.py
Modified: 1.3/generic_fns/grace.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/grace.py?rev=10766&r1=10765&r2=10766&view=diff
==============================================================================
--- 1.3/generic_fns/grace.py (original)
+++ 1.3/generic_fns/grace.py Fri Feb 19 11:09:06 2010
@@ -106,13 +106,11 @@
return graph_type
-def determine_seq_type(data, spin_id=None):
+def determine_seq_type(spin_id=None):
"""Determine the spin sequence data type.
The purpose is to identify systems whereby only spins or only residues
exist.
- @param data: The graph numerical data.
- @type data: list of lists of float
@keyword spin_id: The spin identification string.
@type spin_id: str
@return: The spin sequence data type. This can be one of
'spin', 'res,' or 'mixed'.
@@ -331,10 +329,10 @@
# Multiple data sets.
if multi:
# Write the header.
- write_multi_header(data, file=file, spin_ids=spin_ids,
x_data_type=x_data_type, y_data_type=y_data_type,
x_return_units=x_return_units, y_return_units=y_return_units,
x_return_grace_string=x_return_grace_string,
y_return_grace_string=y_return_grace_string, norm=norm)
+ write_xy_header(data, file=file, spin_ids=spin_ids,
data_type=[x_data_type, y_data_type], return_units=[x_return_units,
y_return_units], return_grace_string=[x_return_grace_string,
y_return_grace_string], norm=norm)
# Write the data.
- write_multi_data(data, file=file, graph_type=graph_type, norm=norm)
+ write_xy_data(data, file=file, graph_type=graph_type, norm=norm)
# Single data set.
else:
@@ -432,7 +430,7 @@
# X-axis set up.
if x_data_type == 'spin':
# Determine the sequence data type.
- seq_type = determine_seq_type(data, spin_id=spin_id)
+ seq_type = determine_seq_type(spin_id=spin_id)
# Residue only data.
if seq_type == 'res':
@@ -571,33 +569,23 @@
file.write("&\n")
-def write_multi_header(data, file=None, spin_ids=None, x_data_type=None,
y_data_type=None, x_return_units=None, y_return_units=None,
x_return_grace_string=None, y_return_grace_string=None, norm=False):
- """Write the grace header.
-
- @param data: The graph numerical data.
- @type data: list of lists of float
+def write_xy_header(file=None, data_type=None, return_units=None,
return_grace_string=None, spin_ids=None, norm=False):
+ """Write the grace header for xy-scatter plots.
+
+ Many of these keyword arguments should be supplied in a [X, Y] list
format, where the first element corresponds to the X data, and the second the
Y data.
+
+
@keyword file: The file object to write the data to.
@type file: file object
+ @keyword data_type: The axis data category (in the [X, Y]
list format).
+ @type data_type: str
+ @keyword return_units: The analysis specific function for
returning the Grace formatted units string for the axes (in the [X, Y] list
format).
+ @type return_units: function
+ @keyword return_grace_string: The analysis specific function for
returning the Grace axes string (in the [X, Y] list format).
+ @type return_grace_string: function
@keyword spin_ids: A list of spin identification strings.
@type spin_ids: list of str
- @keyword x_data_type: The category of the X-axis data.
- @type x_data_type: str
- @keyword y_data_type: The category of the Y-axis data.
- @type y_data_type: str
- @keyword x_return_units: The analysis specific function for
returning the Grace formatted
- units string for the X-axis.
- @type x_return_units: function
- @keyword y_return_units: The analysis specific function for
returning the Grace formatted
- units string for the Y-axis.
- @type y_return_units: function
- @keyword x_return_grace_string: The analysis specific function for
returning the Grace X-axis
- string.
- @type x_return_grace_string: function
- @keyword y_return_grace_string: The analysis specific function for
returning the Grace Y-axis
- string.
- @type y_return_grace_string: function
- @keyword norm: The normalisation flag which if set to
True will cause all
- graphs to be normalised to 1.
+ @keyword norm: The normalisation flag which if set to
True will cause all graphs to be normalised to 1.
@type norm: bool
"""
@@ -610,9 +598,9 @@
file.write("@with g0\n")
# X-axis set up.
- if x_data_type == 'spin':
+ if data_type[0] == 'spin':
# Determine the sequence data type.
- seq_type = determine_seq_type(data, spin_id=spin_id)
+ seq_type = determine_seq_type(spin_id=spin_id)
# Residue only data.
if seq_type == 'res':
@@ -639,13 +627,13 @@
else:
# Get the units.
- units = x_return_units(x_data_type, spin_id=spin_id)
+ units = return_units[0](data_type[0], spin_id=spin_id)
# Label.
if units:
- file.write("@ xaxis label \"" +
x_return_grace_string(x_data_type) + "\\N (" + units + ")\"\n")
+ file.write("@ xaxis label \"" +
return_grace_string[0](data_type[0]) + "\\N (" + units + ")\"\n")
else:
- file.write("@ xaxis label \"" +
x_return_grace_string(x_data_type) + "\"\n")
+ file.write("@ xaxis label \"" +
return_grace_string[0](data_type[0]) + "\"\n")
# X-axis specific settings.
file.write("@ xaxis label char size 1.48\n")
@@ -656,8 +644,8 @@
file.write("@ xaxis ticklabel char size 1.00\n")
# Y-axis label.
- units = y_return_units(y_data_type, spin_id=spin_id)
- string = "@ yaxis label \"" + y_return_grace_string(y_data_type)
+ units = return_units[1](data_type[1], spin_id=spin_id)
+ string = "@ yaxis label \"" + return_grace_string[1](data_type[1])
if units:
string = string + "\\N (" + units + ")"
if norm:
r10766 - /1.3/generic_fns/grace.py