# HG changeset patch
# User chemteam
# Date 1545306380 18000
# Node ID 935c49339c3b50981c136eb7b2452770bff9d448
# Parent  24e220d914812e566bfbd7b92fc0eb2fab8c7b53
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 9b44a37fc1a0c338693f54eaf52b582439ca9f0c

diff -r 24e220d91481 -r 935c49339c3b angle.py
--- a/angle.py	Mon Oct 08 12:41:51 2018 -0400
+++ b/angle.py	Thu Dec 20 06:46:20 2018 -0500
@@ -7,13 +7,12 @@
 import MDAnalysis as mda
 
 import matplotlib
+matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 from numpy.linalg import norm
 
-matplotlib.use('Agg')
-
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
diff -r 24e220d91481 -r 935c49339c3b dihedrals.py
--- a/dihedrals.py	Mon Oct 08 12:41:51 2018 -0400
+++ b/dihedrals.py	Thu Dec 20 06:46:20 2018 -0500
@@ -8,12 +8,11 @@
 from MDAnalysis.lib.distances import calc_dihedrals
 
 import matplotlib
+matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 
-matplotlib.use('Agg')
-
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
diff -r 24e220d91481 -r 935c49339c3b distance.py
--- a/distance.py	Mon Oct 08 12:41:51 2018 -0400
+++ b/distance.py	Thu Dec 20 06:46:20 2018 -0500
@@ -6,12 +6,11 @@
 import MDAnalysis as mda
 
 import matplotlib
+matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 
-matplotlib.use('Agg')
-
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
@@ -53,5 +52,5 @@
     distance = [xtmp[1] for xtmp in data]
     plt.plot(time, distance)
     plt.xlabel('Frame No.')
-    plt.ylabel('Distance ($\AA$)')
+    plt.ylabel(r'Distance ($\AA$)')
     plt.savefig(args.odistance_plot, format='png')
diff -r 24e220d91481 -r 935c49339c3b rdf.py
--- a/rdf.py	Mon Oct 08 12:41:51 2018 -0400
+++ b/rdf.py	Thu Dec 20 06:46:20 2018 -0500
@@ -8,12 +8,11 @@
 from MDAnalysis.analysis.rdf import InterRDF
 
 import matplotlib
+matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 
-matplotlib.use('Agg')
-
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
@@ -64,6 +63,6 @@
     time = [xtmp[0] for xtmp in data]
     rdf = [xtmp[1] for xtmp in data]
     plt.plot(time, rdf)
-    plt.xlabel('r ($\AA$)')
+    plt.xlabel(r'r ($\AA$)')
     plt.ylabel('g(r)')
     plt.savefig(args.ordf_plot, format='png')