diff --git a/.bumpversion.cfg b/.bumpversion.cfg index 2522a3cf..24b416d5 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 0.2.6 +current_version = 0.2.7 commit = True tag = False parse = (?P\d+)\.(?P\d+)\.(?P\d+)(\-(?P[a-z]+)(?P\d+))? diff --git a/HISTORY.md b/HISTORY.md index 159d119d..9a4d3f3e 100644 --- a/HISTORY.md +++ b/HISTORY.md @@ -1,5 +1,8 @@ # Changelog +## 0.2.7 +* Fix warning when loading DIA-NN GUI + ## 0.2.6 * Bug fix when importing data in GUI * version binning diff --git a/alphastats/__init__.py b/alphastats/__init__.py index 689a39dd..67aa455a 100644 --- a/alphastats/__init__.py +++ b/alphastats/__init__.py @@ -1,5 +1,5 @@ __project__ = "alphastats" -__version__ = "0.2.6" +__version__ = "0.2.7" __license__ = "Apache" __description__ = "An open-source Python package for Mass Spectrometry Analysis" __author__ = "Mann Labs" diff --git a/alphastats/gui/pages/02_Import Data.py b/alphastats/gui/pages/02_Import Data.py index c6052fb2..ca46ca6d 100644 --- a/alphastats/gui/pages/02_Import Data.py +++ b/alphastats/gui/pages/02_Import Data.py @@ -39,12 +39,9 @@ def check_software_file(df, software): elif software == "DIANN": expected_columns = [ - "PG.Quantity", "Protein.Group", ] - st.write(set(expected_columns).issubset(set(df.columns.to_list()))) - if (set(expected_columns).issubset(set(df.columns.to_list()))) == False: st.error("This is not a valid DIA-NN file.") @@ -98,7 +95,7 @@ def load_proteomics_data(uploaded_file, intensity_column, index_column, software return loader -def select_sample_column_metadata(df): +def select_sample_column_metadata(df, software): samples_proteomics_data = get_sample_names_from_software_file() valid_sample_columns = [] @@ -114,7 +111,7 @@ def select_sample_column_metadata(df): st.write( f"Select column that contains sample IDs matching the sample names described" - + f"in {software_options.get(st.session_state.loader.software).get('import_file')}" + + f"in {software_options.get(software).get('import_file')}" ) with st.form("sample_column"): @@ -161,7 +158,7 @@ def upload_softwarefile(software): st.session_state["loader"] = loader -def upload_metadatafile(): +def upload_metadatafile(software): st.write("\n\n") st.markdown("### 3. Upload corresponding metadata.") @@ -180,7 +177,7 @@ def upload_metadatafile(): st.dataframe(metadatafile_df.head(5)) # pick sample column - if select_sample_column_metadata(metadatafile_df): + if select_sample_column_metadata(metadatafile_df, software): # create dataset st.session_state["dataset"] = DataSet( loader=st.session_state.loader, @@ -237,7 +234,7 @@ def import_data(): upload_softwarefile(software=software) if "loader" in st.session_state: - upload_metadatafile() + upload_metadatafile(software) def display_loaded_dataset(): @@ -332,5 +329,7 @@ def empty_session_state(): import_data() - display_loaded_dataset() + if "dataset" in st.session_state: + + display_loaded_dataset() diff --git a/alphastats/gui/utils/analysis_helper.py b/alphastats/gui/utils/analysis_helper.py index a1095b79..a271e8a2 100644 --- a/alphastats/gui/utils/analysis_helper.py +++ b/alphastats/gui/utils/analysis_helper.py @@ -5,8 +5,6 @@ from datetime import datetime - - def check_if_options_are_loaded(f): # decorator to check for missing values def inner(*args, **kwargs): diff --git a/alphastats/loader/DIANNLoader.py b/alphastats/loader/DIANNLoader.py index 8e4be137..e61dcea0 100644 --- a/alphastats/loader/DIANNLoader.py +++ b/alphastats/loader/DIANNLoader.py @@ -25,7 +25,7 @@ def __init__( """ super().__init__(file, intensity_column, index_column, sep) - self.software = "DIA-NN" + self.software = "DIANN" self.no_sample_column = [ "PG.Q.value", "Global.PG.Q.value", diff --git a/docs/conf.py b/docs/conf.py index f5633275..b40b2051 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -23,7 +23,7 @@ author = "Elena Krismer" # The full version, including alpha/beta/rc tags -release = "0.2.6" +release = "0.2.7" # -- General configuration --------------------------------------------------- diff --git a/setup.py b/setup.py index e9309dbf..763d64bd 100644 --- a/setup.py +++ b/setup.py @@ -46,7 +46,7 @@ def create_pip_wheel(): requirements, extra_requirements = get_requirements() setuptools.setup( name="alphastats", - version="0.2.6", + version="0.2.7", license="Apache", description="An open-source Python package for Mass Spectrometry Analysis", long_description=get_long_description(),