Author: bugman
Date: Fri Feb 19 11:43:22 2010
New Revision: 10767
URL: http://svn.gna.org/viewcvs/relax?rev=10767&view=rev
Log:
Clean up of write_xy_header().
Labels are now not overwritten if supplied, all file.write() operations are
collected together, and
the X and Y-axis settings have been merged.
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=10767&r1=10766&r2=10767&view=diff
==============================================================================
--- 1.3/generic_fns/grace.py (original)
+++ 1.3/generic_fns/grace.py Fri Feb 19 11:43:22 2010
@@ -569,7 +569,7 @@
file.write("&\n")
-def write_xy_header(file=None, data_type=None, return_units=None,
return_grace_string=None, spin_ids=None, norm=False):
+def write_xy_header(file=None, data_type=[None, None], return_units=[None,
None], return_grace_string=[None, 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.
@@ -578,11 +578,11 @@
@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
+ @type data_type: list of 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
+ @type return_units: list of functions
@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
+ @type return_grace_string: list of functions
@keyword spin_ids: A list of spin identification strings.
@type spin_ids: list of str
@keyword norm: The normalisation flag which if set to
True will cause all graphs to be normalised to 1.
@@ -597,7 +597,7 @@
# Graph G0.
file.write("@with g0\n")
- # X-axis set up.
+ # Some X-axis default values for spin data.
if data_type[0] == 'spin':
# Determine the sequence data type.
seq_type = determine_seq_type(spin_id=spin_id)
@@ -605,60 +605,68 @@
# Residue only data.
if seq_type == 'res':
# Axis limits.
- file.write("@ world xmin " + repr(cdp.mol[0].res[0].num - 1)
+ "\n")
- file.write("@ world xmax " + repr(cdp.mol[0].res[-1].num + 1)
+ "\n")
+ if not axis_min[0]:
+ axis_min[0] = repr(cdp.mol[0].res[0].num - 1)
+ if not axis_max[0]:
+ axis_max[0] = repr(cdp.mol[0].res[-1].num + 1)
# X-axis label.
- file.write("@ xaxis label \"Residue number\"\n")
+ if not axis_label[0]:
+ axis_label[0] = "Residue number"
# Spin only data.
if seq_type == 'spin':
# Axis limits.
- file.write("@ world xmin " +
repr(cdp.mol[0].res[0].spin[0].num - 1) + "\n")
- file.write("@ world xmax " +
repr(cdp.mol[0].res[0].spin[-1].num + 1) + "\n")
+ if not axis_min[0]:
+ axis_min[0] = repr(cdp.mol[0].res[0].spin[0].num - 1)
+ if not axis_max[0]:
+ axis_max[0] = repr(cdp.mol[0].res[0].spin[-1].num + 1)
# X-axis label.
- file.write("@ xaxis label \"Spin number\"\n")
+ if not axis_label[0]:
+ axis_label[0] = "Spin number"
# Mixed data.
if seq_type == 'mixed':
# X-axis label.
- file.write("@ xaxis label \"Spin identification string\"\n")
-
+ if not axis_label[0]:
+ axis_label[0] = "Spin identification string"
+
+ # Some X-axis default values for other data types.
else:
# Get the units.
units = return_units[0](data_type[0], spin_id=spin_id)
# Label.
+ if not axis_label[0]:
+ axis_label[0] = return_grace_string[0](data_type[0])
+ if units:
+ axis_label[0] = axis_label[0] + "\\N (" + units + ")"
+
+ # Some Y-axis default values data.
+ if not axis_label[1]:
+ units = return_units[1](data_type[1], spin_id=spin_id)
+ axis_label[1] = "@ yaxis label \"" +
return_grace_string[1](data_type[1])
if units:
- file.write("@ xaxis label \"" +
return_grace_string[0](data_type[0]) + "\\N (" + units + ")\"\n")
- else:
- 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")
- file.write("@ xaxis tick major size 0.75\n")
- file.write("@ xaxis tick major linewidth 0.5\n")
- file.write("@ xaxis tick minor linewidth 0.5\n")
- file.write("@ xaxis tick minor size 0.45\n")
- file.write("@ xaxis ticklabel char size 1.00\n")
-
- # Y-axis label.
- 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:
- string = string + " \\q(normalised)\\Q"
- file.write(string + "\"\n")
-
- # Y-axis specific settings.
- file.write("@ yaxis label char size 1.48\n")
- file.write("@ yaxis tick major size 0.75\n")
- file.write("@ yaxis tick major linewidth 0.5\n")
- file.write("@ yaxis tick minor linewidth 0.5\n")
- file.write("@ yaxis tick minor size 0.45\n")
- file.write("@ yaxis ticklabel char size 1.00\n")
+ axis_label[1] = axis_label[1] + "\\N (" + units + ")"
+ if norm:
+ axis_label[1] = axis_label[1] + " \\q(normalised)\\Q"
+
+ # Axis specific settings.
+ axes = ['x', 'y']
+ for i in range(2):
+ if axis_min[i]:
+ file.write("@ world %smin %s\n" % (axes[i], axis_min[i]))
+ if axis_max[i]:
+ file.write("@ world %smin %s\n" % (axes[i], axis_max[i]))
+ if axis_label[i]:
+ file.write("@ %saxis label \"%s\"\n" % (axes[i],
axis_label[i]))
+ file.write("@ %saxis label char size 1.48\n" % axes[i])
+ file.write("@ %saxis tick major size 0.75\n" % axes[i])
+ file.write("@ %saxis tick major linewidth 0.5\n" % axes[i])
+ file.write("@ %saxis tick minor linewidth 0.5\n" % axes[i])
+ file.write("@ %saxis tick minor size 0.45\n" % axes[i])
+ file.write("@ %saxis ticklabel char size 1.00\n" % axes[i])
# Legend box.
file.write("@ legend off\n")
r10767 - /1.3/generic_fns/grace.py