Fix plotting bug during analyze (PR #86)

Running `mdbenchmark analyze --plot` will now work again.

Author: mimischi

CHANGELOG.rst

@@ -9,20 +9,29 @@ to update this file automatically for each release.
 
 .. towncrier release notes start
 
+MDBenchmark 1.3.3 (2018-09-24)
+==============================
+
+Bugfixes
+--------
+
+- Fixed a bug where the user was unable to call ``mdbenchmark analyze --plot``. (#86)
+
+
 MDBenchmark 1.3.2 (2018-07-20)
 ==============================
 
 Bugfixes
 --------
 
-- We now print all rows when running `mdbenchmark analyze`. (#68)
+- We now print all rows when running ``mdbenchmark analyze``. (#68)
 - Suppress UserWarning caused by ``MDAnalysis==0.18``. (#71)
 
 
 Misc
 ----
 
-- Added new error message when running `mdbenchmark generate [...] --skip-validation` without providing a supported MD engine. (#74)
+- Added new error message when running ``mdbenchmark generate [...] --skip-validation`` without providing a supported MD engine. (#74)
 
 
 MDBenchmark 1.3.1 (2018-05-17)
@@ -36,7 +45,7 @@ Bugfixes
 
 Misc
 ----
-- Consolidate common functions from `mdengines.gromacs` and `mdengines.namd` into `mdengines.utils`, removing code duplication. (#57)
+- Consolidate common functions from ``mdengines.gromacs`` and ``mdengines.namd`` into ``mdengines.utils``, removing code duplication. (#57)
 - Refactor unit tests. Make everything more concise and use some more pytest functionality. (#58)
 
 
@@ -49,7 +58,7 @@ Features
 - Add functionality to perform benchmarks with NAMD. (#29)
 - Consolidated internal API to output messages to the console. (#42)
 - Module name is now validated against available modules on host. Can be
-  skipped with `--skip-validation`. (#49)
+  skipped with ``--skip-validation``. (#49)
 
 
 Bugfixes

mdbenchmark/__init__.py

@@ -35,4 +35,4 @@
 
     from . import analyze, generate, submit
 
-    __version__ = '1.3.2'
+    __version__ = '1.3.3'

mdbenchmark/analyze.py

@@ -187,7 +187,14 @@ def analyze(directory, plot, ncores, output_name):
         # We only support plotting of benchmark systems from equal hosts /
         # with equal settings
         uniqueness = df.apply(lambda x: x.nunique())
-        if uniqueness['gromacs'] > 1 or uniqueness['host'] > 1:
+
+        # Backwards compatibility to older versions.
+        if 'module' in uniqueness:
+            module_column = uniqueness['module']
+        else:
+            module_column = uniqueness['gromacs']
+
+        if module_column > 1 or uniqueness['host'] > 1:
             console.error(
                 'Cannot plot benchmarks for more than one GROMACS module '
                 'and/or host.')