From 0ee3516b90d7897f55de3f2ccdb54641e7515a74 Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 5 Sep 2023 00:08:41 -0400 Subject: [PATCH 1/2] update versions for new release --- docs/source/conf.py | 4 ++-- pyproject.toml | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/docs/source/conf.py b/docs/source/conf.py index ea2b4b5..112ba39 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -23,8 +23,8 @@ author = "Jelena Tosovic, Domagoj Fijan, Marko Jukic, Urban Bren" # The full version, including alpha/beta/rc tags -version = "0.1.2" -release = "0.1.2" +version = "0.2.0" +release = "0.2.0" # -- General configuration --------------------------------------------------- diff --git a/pyproject.toml b/pyproject.toml index ba4e090..36f5740 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta" [project] name = "ConservedWaterSearch" -version = "0.1.2" +version = "0.2.0" authors = [ { name = "Domagoj Fijan" }, { name = "Jelena Tosovic", email = "jecat_90@live.com" }, From 5eeace5c7417efca3b5316b8ed42c6a726e43a60 Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 5 Sep 2023 01:45:10 -0400 Subject: [PATCH 2/2] fix docstrings --- ConservedWaterSearch/utils.py | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/ConservedWaterSearch/utils.py b/ConservedWaterSearch/utils.py index 324aee2..99444f4 100644 --- a/ConservedWaterSearch/utils.py +++ b/ConservedWaterSearch/utils.py @@ -170,6 +170,12 @@ def visualise_pymol( crystal waters shall be selected. Defaults to 10.0. density_map (str | None, optional): Water density map to add to visualisation session (usually .dx file). Defaults to None. + lunch_pymol (bool, optional): If `True` pymol will be lunched + in interactive mode. If `False` pymol will be imported + without lunching. Defaults to True. + reinitialize (bool, optional): If `True` pymol will be + reinitialized (defaults restored and objects cleaned). + Defaults to True. Example::