From dde65848c3bf05b7ddf92dc5c5303d612d0aa971 Mon Sep 17 00:00:00 2001 From: xiki-tempula Date: Mon, 18 Dec 2017 16:29:12 +0000 Subject: [PATCH 1/2] Fix py3 compatibility regarding the HydrogenBondAnalysis.save_table() --- package/CHANGELOG | 2 ++ package/MDAnalysis/analysis/hbonds/hbond_analysis.py | 2 +- 2 files changed, 3 insertions(+), 1 deletion(-) diff --git a/package/CHANGELOG b/package/CHANGELOG index 9ea1ea3ff63..99e5e46caf4 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -35,6 +35,8 @@ Enhancements * introduce the water bridge analysis module (PR #1722) * Universe.add_TopologyAttr now accepts strings to add a given attribute to the Universe (Issue #1092, PR #1186) + * Fix py3 compatibility regarding the HydrogenBondAnalysis.save_table() + (Issue #1743, PR #1742) Deprecations * HydrogenBondAnalysis detect_hydrogens=heuristic is marked for deprecation in 1.0 diff --git a/package/MDAnalysis/analysis/hbonds/hbond_analysis.py b/package/MDAnalysis/analysis/hbonds/hbond_analysis.py index 253e6ca3d7b..de5c1dfe2f5 100644 --- a/package/MDAnalysis/analysis/hbonds/hbond_analysis.py +++ b/package/MDAnalysis/analysis/hbonds/hbond_analysis.py @@ -1194,7 +1194,7 @@ def save_table(self, filename="hbond_table.pickle"): """ if self.table is None: self.generate_table() - with open(filename, 'w') as f: + with open(filename, 'wb') as f: cPickle.dump(self.table, f, protocol=cPickle.HIGHEST_PROTOCOL) def _has_timeseries(self): From 157173195475bfe93d1a75627a8744431f289278 Mon Sep 17 00:00:00 2001 From: xiki-tempula Date: Mon, 18 Dec 2017 16:35:04 +0000 Subject: [PATCH 2/2] change the change log. --- package/CHANGELOG | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/package/CHANGELOG b/package/CHANGELOG index 99e5e46caf4..eb802a67c90 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -36,7 +36,7 @@ Enhancements * Universe.add_TopologyAttr now accepts strings to add a given attribute to the Universe (Issue #1092, PR #1186) * Fix py3 compatibility regarding the HydrogenBondAnalysis.save_table() - (Issue #1743, PR #1742) + (Issue #1743, PR #1744) Deprecations * HydrogenBondAnalysis detect_hydrogens=heuristic is marked for deprecation in 1.0