From 2dbc76f98008821bf3c41c184d4ad0e438935d03 Mon Sep 17 00:00:00 2001 From: RobbinBouwmeester Date: Sat, 13 Apr 2024 15:59:49 +0200 Subject: [PATCH] Make single model mode available and default --- CHANGELOG.md | 4 ++++ deeplc/deeplc.py | 7 +++++-- pyproject.toml | 2 +- 3 files changed, 10 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index b7d26ad..b76546f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -5,6 +5,10 @@ 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). +# [2.2.33] - 2024-04-13 + +- Make single model mode available and the default + # [2.2.32] - 2024-02-16 - Bump version diff --git a/deeplc/deeplc.py b/deeplc/deeplc.py index 1142162..f274506 100644 --- a/deeplc/deeplc.py +++ b/deeplc/deeplc.py @@ -4,7 +4,6 @@ This provides the main interface. For the library versions see the .yml file """ - __author__ = ["Robbin Bouwmeester", "Ralf Gabriels"] __license__ = "Apache License, Version 2.0" __maintainer__ = ["Robbin Bouwmeester", "Ralf Gabriels"] @@ -217,6 +216,7 @@ def __init__( deeplc_retrain=False, predict_ccs=False, n_epochs=20, + single_model_mode=True, ): # if a config file is defined overwrite standard parameters if config_file: @@ -267,7 +267,10 @@ def __init__( if path_model: self.model = path_model else: - self.model = DEFAULT_MODELS + if single_model_mode: + self.model = DEFAULT_MODELS[0] + else: + self.model = DEFAULT_MODELS if f_extractor: self.f_extractor = f_extractor diff --git a/pyproject.toml b/pyproject.toml index 368ec73..6b95cc0 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [project] name = "deeplc" -version = "2.2.32" +version = "2.2.33" description = "DeepLC: Retention time prediction for (modified) peptides using Deep Learning." readme = "README.md" license = { file = "LICENSE" }