Author: bugman
Date: Fri Feb 19 14:11:57 2010
New Revision: 10769
URL: http://svn.gna.org/viewcvs/relax?rev=10769&view=rev
Log:
More changes to write_xy_header().
The return_units() and return_grace_string() analysis specific methods are no
longer passed in as
args but are set up in the method itself. Many simplifications have been
made. And now spin data
has been made axis independent - it can be X or Y data.
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=10769&r1=10768&r2=10769&view=diff
==============================================================================
--- 1.3/generic_fns/grace.py (original)
+++ 1.3/generic_fns/grace.py Fri Feb 19 14:11:57 2010
@@ -290,20 +290,6 @@
# Open the file for writing.
file = open_write_file(file, dir, force)
- # Specific value and error, conversion factor, and units returning
functions.
- x_return_units = y_return_units =
get_specific_fn('return_units', pipes.get_type())
- x_return_grace_string = y_return_grace_string =
get_specific_fn('return_grace_string', pipes.get_type())
-
- # Test if the X-axis data type is a minimisation statistic.
- if x_data_type != 'spin' and
generic_fns.minimise.return_data_name(x_data_type):
- x_return_units = generic_fns.minimise.return_units
- x_return_grace_string = generic_fns.minimise.return_grace_string
-
- # Test if the Y-axis data type is a minimisation statistic.
- if generic_fns.minimise.return_data_name(y_data_type):
- y_return_units = generic_fns.minimise.return_units
- y_return_grace_string = generic_fns.minimise.return_grace_string
-
# Get the data.
data = get_data(spin_id, x_data_type=x_data_type,
y_data_type=y_data_type, plot_data=plot_data)
@@ -329,7 +315,7 @@
# Multiple data sets.
if multi:
# Write the header.
- 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_xy_header(data, file=file, data_type=[x_data_type,
y_data_type], spin_ids=spin_ids, norm=norm)
# Write the data.
write_xy_data(data, file=file, graph_type=graph_type, norm=norm)
@@ -569,7 +555,7 @@
file.write("&\n")
-def write_xy_header(file=None, sets=1, data_type=[None, None],
return_units=[None, None], return_grace_string=[None, None], spin_ids=None,
norm=False):
+def write_xy_header(file=None, sets=1, data_type=[None, None],
axis_labels=[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.
@@ -581,10 +567,8 @@
@type sets: int
@keyword data_type: The axis data category (in the [X, Y]
list format).
@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: 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: list of functions
+ @keyword axis_labels: The labels for the axes (in the [X, Y]
list format).
+ @type axis_labels: list of str
@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.
@@ -599,64 +583,78 @@
# Graph G0.
file.write("@with g0\n")
- # 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)
-
- # Residue only data.
- if seq_type == 'res':
- # Axis limits.
- 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.
- if not axis_label[0]:
- axis_label[0] = "Residue number"
-
- # Spin only data.
- if seq_type == 'spin':
- # Axis limits.
- 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.
- if not axis_label[0]:
- axis_label[0] = "Spin number"
-
- # Mixed data.
- if seq_type == 'mixed':
- # X-axis label.
- 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:
- 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):
+ # Analysis specific methods for making labels.
+ analysis_spec = False
+ if pipes.cdp_name():
+ # Flag for making labels.
+ analysis_spec = True
+
+ # Specific value and error, conversion factor, and units
returning functions.
+ return_units = get_specific_fn('return_units', pipes.get_type())
+ return_grace_string = get_specific_fn('return_grace_string',
pipes.get_type())
+
+ # Test if the axis data type is a minimisation statistic.
+ if data_type[i] != 'spin' and
generic_fns.minimise.return_data_name(data_type[i]):
+ return_units = generic_fns.minimise.return_units
+ return_grace_string =
generic_fns.minimise.return_grace_string
+
+ # Some axis default values for spin data.
+ if data_type[i] == 'spin':
+ # Determine the sequence data type.
+ seq_type = determine_seq_type(spin_id=spin_id)
+
+ # Residue only data.
+ if seq_type == 'res':
+ # Axis limits.
+ if not axis_min[i]:
+ axis_min[i] = repr(cdp.mol[0].res[0].num - 1)
+ if not axis_max[i]:
+ axis_max[i] = repr(cdp.mol[0].res[-1].num + 1)
+
+ # X-axis label.
+ if not axis_label[i]:
+ axis_label[i] = "Residue number"
+
+ # Spin only data.
+ if seq_type == 'spin':
+ # Axis limits.
+ if not axis_min[i]:
+ axis_min[i] = repr(cdp.mol[0].res[0].spin[0].num - 1)
+ if not axis_max[i]:
+ axis_max[i] = repr(cdp.mol[0].res[0].spin[-1].num + 1)
+
+ # X-axis label.
+ if not axis_label[i]:
+ axis_label[i] = "Spin number"
+
+ # Mixed data.
+ if seq_type == 'mixed':
+ # X-axis label.
+ if not axis_label[i]:
+ axis_label[i] = "Spin identification string"
+
+ # Some axis default values for other data types.
+ else:
+ # Label.
+ if analysis_spec not axis_label[i]:
+ # Get the units.
+ units = return_units(data_type[i], spin_id=spin_id)
+
+ # Set the label.
+ axis_label[i] = return_grace_string(data_type[i])
+
+ # Add units.
+ if units:
+ axis_label[i] = axis_label[i] + "\\N (" + units + ")"
+
+ # Normalised data.
+ if norm:
+ axis_label[i] = axis_label[i] + " \\N\\q(normalised)\\Q"
+
+ # Write out the data.
if axis_min[i]:
file.write("@ world %smin %s\n" % (axes[i], axis_min[i]))
if axis_max[i]:
r10769 - /1.3/generic_fns/grace.py