consistency with amber nacl tutorial
@@ -5,6 +5,18 @@ class TrajWriter(object):
'''
A class for writing out trajectory traces as an xyz file, for subsequent
visualization.
+
+ ---------
+ Arguments
+ ---------
+ trace: A trace returned by w.trace.
+ w: The w object loaded by w_ipa
+
+ -----------------
+ Keyword Arguments
+ -----------------
+ filename (default='trace.xyz'): A path designating the file to which the
+ trajectory should be written, in xyz format.
'''
def __init__(self, trace, w, filename='trace.xyz'):
self.trace = trace
