# HG changeset patch
# User chemteam
# Date 1545306503 18000
# Node ID 2b1434ec8c7e4499a32ed5d2c722657f4f55ce75
# Parent  c33b972fe040f34424470691d784a1357d624297
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 9b44a37fc1a0c338693f54eaf52b582439ca9f0c

diff -r c33b972fe040 -r 2b1434ec8c7e angle.py
--- a/angle.py	Mon Oct 08 13:16:12 2018 -0400
+++ b/angle.py	Thu Dec 20 06:48:23 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 c33b972fe040 -r 2b1434ec8c7e dihedrals.py
--- a/dihedrals.py	Mon Oct 08 13:16:12 2018 -0400
+++ b/dihedrals.py	Thu Dec 20 06:48:23 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 c33b972fe040 -r 2b1434ec8c7e distance.py
--- a/distance.py	Mon Oct 08 13:16:12 2018 -0400
+++ b/distance.py	Thu Dec 20 06:48:23 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 c33b972fe040 -r 2b1434ec8c7e rdf.py
--- a/rdf.py	Mon Oct 08 13:16:12 2018 -0400
+++ b/rdf.py	Thu Dec 20 06:48:23 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')