From 872fe8de587dfec2618dcb8f3020813673f87107 Mon Sep 17 00:00:00 2001 From: Hirotomo Moriwaki Date: Sun, 3 Sep 2017 22:26:53 +0900 Subject: [PATCH 1/3] add .zenodo.json --- .zenodo.json | 8 ++++++++ 1 file changed, 8 insertions(+) create mode 100644 .zenodo.json diff --git a/.zenodo.json b/.zenodo.json new file mode 100644 index 00000000..570d3767 --- /dev/null +++ b/.zenodo.json @@ -0,0 +1,8 @@ +{ + "license": "BSD3", + "creators": [ + { + "name": "Hirotomo Moriwaki" + } + ] +} From 749aa079f3b84e809da4f74c319c18ca40084d0f Mon Sep 17 00:00:00 2001 From: Hirotomo Moriwaki Date: Sun, 3 Sep 2017 22:35:08 +0900 Subject: [PATCH 2/3] fix RingCount description method --- mordred/RingCount.py | 12 ++++++++++-- 1 file changed, 10 insertions(+), 2 deletions(-) diff --git a/mordred/RingCount.py b/mordred/RingCount.py index a2a21ec7..195c7f65 100644 --- a/mordred/RingCount.py +++ b/mordred/RingCount.py @@ -79,10 +79,18 @@ def description(self): else: o = "{}-membered ".format(self._order) - return "{}{}{}ring count".format( + if self._aromatic is None: + a = "" + elif self._aromatic is True: + a = "aromatic " + else: + a = "aliphatic " + + return "{}{}{}{}ring count".format( o, + a, "fused " if self._fused else "", - "aromatic " if self._aromatic else "", + "hetero " if self._hetero else "", ) @classmethod From 21247fe2f8ae3edb41aa6cac4f883d8a5bdd48f7 Mon Sep 17 00:00:00 2001 From: Hirotomo Moriwaki Date: Sun, 3 Sep 2017 22:35:42 +0900 Subject: [PATCH 3/3] bump version to 0.5.1 --- README.rst | 1 + mordred/_version.txt | 2 +- 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/README.rst b/README.rst index 3b0dd4dd..1b1a08b0 100644 --- a/README.rst +++ b/README.rst @@ -186,6 +186,7 @@ Documentation - `master `__ - `develop `__ +- `v0.5.1 `__ - `v0.5.0 `__ - `v0.4.1 `__ - `v0.4.0 `__ diff --git a/mordred/_version.txt b/mordred/_version.txt index 8f0916f7..4b9fcbec 100644 --- a/mordred/_version.txt +++ b/mordred/_version.txt @@ -1 +1 @@ -0.5.0 +0.5.1