From 9c6b49ea373e314e5929b8157a6ec062efc1701b Mon Sep 17 00:00:00 2001 From: tjkessler Date: Mon, 12 Jul 2021 11:34:20 -0400 Subject: [PATCH] Update version: 0.1.9 -> 0.1.10 --- README.md | 2 +- padelpy/__init__.py | 2 +- padelpy/functions.py | 4 ++-- padelpy/wrapper.py | 9 ++++----- setup.py | 2 +- 5 files changed, 9 insertions(+), 10 deletions(-) diff --git a/README.md b/README.md index e98d630..42f486d 100644 --- a/README.md +++ b/README.md @@ -147,7 +147,7 @@ padeldescriptor(waitingjobs=10) # to set the maximum number of threads used padeldescriptor(threads=2) -# to prevents padel-splash image from loading. +# to prevent padel-splash image from loading. padeldescriptor(headless=True) ``` diff --git a/padelpy/__init__.py b/padelpy/__init__.py index f4af727..79627f6 100644 --- a/padelpy/__init__.py +++ b/padelpy/__init__.py @@ -1,3 +1,3 @@ from padelpy.wrapper import padeldescriptor from padelpy.functions import from_mdl, from_smiles -__version__ = '0.1.9' +__version__ = '0.1.10' diff --git a/padelpy/functions.py b/padelpy/functions.py index 0d7c417..d4ea3ee 100644 --- a/padelpy/functions.py +++ b/padelpy/functions.py @@ -2,8 +2,8 @@ # -*- coding: utf-8 -*- # # padelpy/functions.py -# v.0.1.9 -# Developed in 2019 by Travis Kessler +# v.0.1.10 +# Developed in 2021 by Travis Kessler # # Contains various functions commonly used with PaDEL-Descriptor # diff --git a/padelpy/wrapper.py b/padelpy/wrapper.py index 3d7303b..8dbb263 100644 --- a/padelpy/wrapper.py +++ b/padelpy/wrapper.py @@ -2,8 +2,8 @@ # -*- coding: utf-8 -*- # # padelpy/wrapper.py -# v.0.1.9 -# Developed in 2019 by Travis Kessler +# v.0.1.10 +# Developed in 2021 by Travis Kessler # # Contains the `padeldescriptor` function, a wrapper for PaDEL-Descriptor # @@ -58,8 +58,7 @@ def padeldescriptor(maxruntime: int = -1, waitingjobs: int = -1, tautomerlist: str = None, usefilenameasmolname: bool = False, sp_timeout: int = None, - headless: bool = True, - ) -> None: + headless: bool = True) -> None: ''' padeldescriptor: complete wrapper for PaDEL-Descriptor descriptor/ fingerprint generation software @@ -96,7 +95,7 @@ def padeldescriptor(maxruntime: int = -1, waitingjobs: int = -1, tautomerlist (str): path to SMIRKS tautomers file (optional) usefilenameasmolname (bool): if `True`, uses filename (minus the extension) as the molecule name - headless (bool): if `True`, Prevents Padel-splash image from loading. + headless (bool): if `True`, prevents Padel-splash image from loading. Returns: None diff --git a/setup.py b/setup.py index be17581..d906720 100644 --- a/setup.py +++ b/setup.py @@ -2,7 +2,7 @@ setup( name='padelpy', - version='0.1.9', + version='0.1.10', description='A Python wrapper for PaDEL-Descriptor', url='https://github.com/ecrl/padelpy', author='Travis Kessler',