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Update version: 0.1.9 -> 0.1.10
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tjkessler committed Jul 12, 2021
1 parent a3728f0 commit 9c6b49e
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Showing 5 changed files with 9 additions and 10 deletions.
2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -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)

```
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2 changes: 1 addition & 1 deletion padelpy/__init__.py
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@@ -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'
4 changes: 2 additions & 2 deletions padelpy/functions.py
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Expand Up @@ -2,8 +2,8 @@
# -*- coding: utf-8 -*-
#
# padelpy/functions.py
# v.0.1.9
# Developed in 2019 by Travis Kessler <[email protected]>
# v.0.1.10
# Developed in 2021 by Travis Kessler <[email protected]>
#
# Contains various functions commonly used with PaDEL-Descriptor
#
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9 changes: 4 additions & 5 deletions padelpy/wrapper.py
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Expand Up @@ -2,8 +2,8 @@
# -*- coding: utf-8 -*-
#
# padelpy/wrapper.py
# v.0.1.9
# Developed in 2019 by Travis Kessler <[email protected]>
# v.0.1.10
# Developed in 2021 by Travis Kessler <[email protected]>
#
# Contains the `padeldescriptor` function, a wrapper for PaDEL-Descriptor
#
Expand Down Expand Up @@ -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
Expand Down Expand Up @@ -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
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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -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',
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