diff --git a/CHANGELOG.md b/CHANGELOG.md index d52d3cb..67e796d 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -5,6 +5,11 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). +# [2.1.7] - 2023-05-09 + +### Changed +- fix setting cmd line calibration default + # [2.1.6] - 2023-05-09 ### Changed diff --git a/deeplc/_argument_parser.py b/deeplc/_argument_parser.py index 39179a4..fd3ca0a 100644 --- a/deeplc/_argument_parser.py +++ b/deeplc/_argument_parser.py @@ -152,7 +152,7 @@ def parse_arguments(gui=False): "--transfer_learning", dest="transfer_learning", action="store_false", - #default=False, + default=False, help="use transfer learning as calibration method", **gooey_args["transfer_learning"] ) diff --git a/deeplc/deeplc.py b/deeplc/deeplc.py index 887ac68..258f3f4 100644 --- a/deeplc/deeplc.py +++ b/deeplc/deeplc.py @@ -209,7 +209,10 @@ def __init__( pygam_calibration=True, deepcallc_mod=False, deeplc_retrain=False, - ): + ): + # Force pygam calibration... TODO fix this + pygam_calibration=True + # if a config file is defined overwrite standard parameters if config_file: cparser = ConfigParser() diff --git a/setup.py b/setup.py index 64830e3..7c03415 100644 --- a/setup.py +++ b/setup.py @@ -6,7 +6,7 @@ setup( name='deeplc', - version='2.1.6', + version='2.1.7', license='apache-2.0', description='DeepLC: Retention time prediction for (modified) peptides using Deep Learning.', long_description=LONG_DESCRIPTION,