Change arbitrary units to counts in RMSD distance distribution output

Users were confused by the "a.u." label in the RMSD distance
distribution output. This patch changes the label to "counts"
to better state that this is the number of events captured in the
histogram column.

Change-Id: I6c082147ae9f1647ec743275af6b72564401de8d

diff --git a/docs/release-notes/2019/2019.5.rst b/docs/release-notes/2019/2019.5.rst
index 7a757cc08eba888fd77e4b8f8ea464c89ab81e70..474ceb90530c17513d2dc240440267d923413330 100644 (file)
--- a/docs/release-notes/2019/2019.5.rst
+++ b/docs/release-notes/2019/2019.5.rst
@@ -80,6 +80,13 @@ Remove assertion failure with AWH when not using the initial stage
 Fixes for ``gmx`` tools
 ^^^^^^^^^^^^^^^^^^^^^^^
 
+Make histogram output clearer
+""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+Output gave number of events included in histogram bar as *a.u.*,
+which was not clear for users.
+
+
 Fixes that affect portability
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 

diff --git a/src/gromacs/gmxana/cmat.cpp b/src/gromacs/gmxana/cmat.cpp
index ec67259db610917994cf06e6bb0ec676283829d0..b695f21f68df40cf3ebf0c7f0e7868ab3fab27a6 100644 (file)
--- a/src/gromacs/gmxana/cmat.cpp
+++ b/src/gromacs/gmxana/cmat.cpp
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017,2018,2019, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -228,7 +228,7 @@ void low_rmsd_dist(const char *fn, real maxrms, int nn, real **mat,
         }
     }
 
-    fp = xvgropen(fn, "RMS Distribution", "RMS (nm)", "a.u.", oenv);
+    fp = xvgropen(fn, "RMS Distribution", "RMS (nm)", "counts", oenv);
     for (i = 0; (i < 101); i++)
     {
         fprintf(fp, "%10g  %10d\n", i/fac, histo[i]);