diff --git a/.gitignore b/.gitignore index 2e47ccb6..ffd5c3e6 100644 --- a/.gitignore +++ b/.gitignore @@ -1,3 +1,11 @@ +# User defined: +peptdeep/logs +*.DS_Store +*sandbox* +*installed_models* +*.last_checked* +*mono_crash.*.blob + # Byte-compiled / optimized / DLL files __pycache__/ *.py[cod] @@ -128,19 +136,3 @@ dmypy.json # Pyre type checker .pyre/ - -# User defined: -peptdeep/logs -*.DS_Store -*sandbox* -*installed_models* -*.last_checked* - -# nbdev2 -*.gitattributes -_docs* -# *_quarto.yml -# *sidebar.yml -*_proc* -# .gitconfig is now autogenerated -.gitconfig diff --git a/peptdeep/_modidx.py b/peptdeep/_modidx.py deleted file mode 100644 index 53ce3258..00000000 --- a/peptdeep/_modidx.py +++ /dev/null @@ -1 +0,0 @@ -d = {"settings": {}, "syms": {}} diff --git a/peptdeep/constants/default_settings.yaml b/peptdeep/constants/default_settings.yaml index d01acbc2..855d993f 100644 --- a/peptdeep/constants/default_settings.yaml +++ b/peptdeep/constants/default_settings.yaml @@ -265,10 +265,9 @@ library: max_precursor_mz: 2000.0 decoy: None decoy_choices: - - protein_reverse + - None - pseudo_reverse - diann - - None max_frag_charge: 2 frag_types: - b diff --git a/peptdeep/webui/rescore_ui.py b/peptdeep/webui/rescore_ui.py index f586d885..d2122e40 100644 --- a/peptdeep/webui/rescore_ui.py +++ b/peptdeep/webui/rescore_ui.py @@ -1,7 +1,5 @@ import streamlit as st -import pandas as pd import os -import time from .ui_utils import files_in_folder_pandas from peptdeep.settings import global_settings diff --git a/peptdeep/webui/server.py b/peptdeep/webui/server.py index fae9d42b..601aa8cb 100644 --- a/peptdeep/webui/server.py +++ b/peptdeep/webui/server.py @@ -1,6 +1,5 @@ import time import os -import sys import shutil import multiprocessing as mp diff --git a/peptdeep/webui/server_ui.py b/peptdeep/webui/server_ui.py index d27d79e3..5d36c9f2 100644 --- a/peptdeep/webui/server_ui.py +++ b/peptdeep/webui/server_ui.py @@ -1,7 +1,6 @@ import streamlit as st import os import psutil -import time from alphabase.yaml_utils import load_yaml diff --git a/peptdeep/webui/settings_ui.py b/peptdeep/webui/settings_ui.py index a2069ee3..7c1d0925 100644 --- a/peptdeep/webui/settings_ui.py +++ b/peptdeep/webui/settings_ui.py @@ -9,10 +9,9 @@ from peptdeep.settings import ( update_settings, add_user_defined_modifications, + global_settings, ) -from peptdeep.settings import global_settings - global_ui_settings = global_settings diff --git a/peptdeep/webui/transfer_ui.py b/peptdeep/webui/transfer_ui.py index 8414cafe..30e73db3 100644 --- a/peptdeep/webui/transfer_ui.py +++ b/peptdeep/webui/transfer_ui.py @@ -1,12 +1,10 @@ import streamlit as st import pandas as pd import os -import time from datetime import datetime from alphabase.yaml_utils import save_yaml from alphabase.constants.modification import MOD_DF -import alphabase.psm_reader from peptdeep.webui.server import queue_folder from peptdeep.webui.ui_utils import ( @@ -147,6 +145,7 @@ def show(): "maxquant": "msms.txt", "diann": "tsv", "speclib_tsv": "tsv", + "msfragger_pepxml": "pepxml", } used_psm_types = list(psm_type_to_ext_dict.keys())