Author: bugman
Date: Tue Dec 9 08:41:45 2014
New Revision: 27037
URL: http://svn.gna.org/viewcvs/relax?rev=27037&view=rev
Log:
The new grace.write user function norm_type argument has been activated.
The argument is now passed from pipe_control.grace.write into the
write_xy_data() function of the
lib.software.grace module, and is used to select which point to use for the
normalisation.
Modified:
trunk/lib/software/grace.py
trunk/pipe_control/grace.py
Modified: trunk/lib/software/grace.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/software/grace.py?rev=27037&r1=27036&r2=27037&view=diff
==============================================================================
--- trunk/lib/software/grace.py (original)
+++ trunk/lib/software/grace.py Tue Dec 9 08:41:45 2014
@@ -25,6 +25,10 @@
# Python module imports.
from math import ceil, sqrt
+
+# relax module imports.
+from lib.errors import RelaxError
+
# This script is used to batch convert the Grace *.agr files into graphics
files using the Grace
# program itself.
@@ -119,7 +123,7 @@
file.write(" return_code = subprocess.call(im_args)\n")
-def write_xy_data(data, file=None, graph_type=None, norm=None, autoscale=True):
+def write_xy_data(data, file=None, graph_type=None, norm_type='first',
norm=None, autoscale=True):
"""Write the data into the Grace xy-scatter plot.
The numerical data should be supplied as a 4 dimensional list or array
object. The first dimension corresponds to the graphs, Gx. The second
corresponds the sets of each graph, Sx. The third corresponds to the data
series (i.e. each data point). The forth is a list of the information about
each point, it is a list where the first element is the x value, the second is
the y value, the third is the optional dx or dy error (either dx or dy
dependent upon the graph_type arg), and the forth is the optional dy error when
graph_type is xydxdy (the third position is then dx).
@@ -131,6 +135,8 @@
@type file: file object
@keyword graph_type: The graph type which can be one of xy, xydy, xydx,
or xydxdy.
@type graph_type: str
+ @keyword norm_type: The point to normalise to 1. This can be 'first'
or 'last'.
+ @type norm_type: str
@keyword norm: The normalisation flag which if set to True will
cause all graphs to be normalised to 1. The first dimension is the graph.
@type norm: None or list of bool
@keyword autoscale: A flag which if True will cause the world view of
each graph to be autoscaled (by placing the Grace command "@autoscale" at the
end of the file). If you have supplied a world view for the header or the tick
spacing, this argument should be set to False to prevent that world view from
being overwritten.
@@ -164,7 +170,12 @@
# Normalisation (to the first data point y value!).
norm_fact = 1.0
if norm[gi]:
- norm_fact = data[gi][si][0][1]
+ if norm_type == 'first':
+ norm_fact = data[gi][si][0][1]
+ elif norm_type == 'last':
+ norm_fact = data[gi][si][-1][1]
+ else:
+ raise RelaxError("The normalisation type '%s' must be one
of ['first', 'last']." % norm_fact)
# Loop over the data points.
for point in data[gi][si]:
Modified: trunk/pipe_control/grace.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/grace.py?rev=27037&r1=27036&r2=27037&view=diff
==============================================================================
--- trunk/pipe_control/grace.py (original)
+++ trunk/pipe_control/grace.py Tue Dec 9 08:41:45 2014
@@ -274,7 +274,7 @@
write_xy_header(file=file, data_type=data_type, seq_type=seq_type,
sets=[len(data[0])], set_names=[set_names], axis_labels=[axis_labels],
norm=[norm])
# Write the data.
- write_xy_data(data, file=file, graph_type=graph_type, norm=[norm])
+ write_xy_data(data, file=file, graph_type=graph_type, norm_type=norm_type,
norm=[norm])
# Close the file.
file.close()
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