From dfa9329f7ec4801dab2d3e50bbe156b32a8adf2c Mon Sep 17 00:00:00 2001 From: PatriciaSkowronek Date: Fri, 29 Apr 2022 16:23:37 +0200 Subject: [PATCH 1/2] FIX: removed raisinf error so that it filters now correctly for modifications --- pydiaid/loader.py | 8 ++------ 1 file changed, 2 insertions(+), 6 deletions(-) diff --git a/pydiaid/loader.py b/pydiaid/loader.py index c21543c..253896b 100644 --- a/pydiaid/loader.py +++ b/pydiaid/loader.py @@ -288,16 +288,12 @@ def library_loader( Returns: pd.DataFrame: returns a pre-filtered data frame with unified column names. """ + if ptm != 'None': library[ptm] = library[modified_peptide].apply( lambda x: find_PTM(x, ptm) ) - try: - library_filtered = library[library[ptm] == True] - raise Exception('Modification not in dataset.') - except Exception as e: - print(e) - raise Exception("Is this modification present in the dataset?") + library_filtered = library[library[ptm] == True] library_subset = library_filtered.drop_duplicates( [modified_peptide, charge] ) From 8ce0a1a7930cbf43d27431506e09f0c2e69499f4 Mon Sep 17 00:00:00 2001 From: PatriciaSkowronek Date: Fri, 29 Apr 2022 16:24:45 +0200 Subject: [PATCH 2/2] =?UTF-8?q?Bump=20version:=200.0.15=20=E2=86=92=200.0.?= =?UTF-8?q?16?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- misc/bumpversion.cfg | 2 +- pydiaid/__init__.py | 2 +- release/one_click_linux_gui/control | 2 +- release/one_click_linux_gui/create_installer_linux.sh | 2 +- release/one_click_macos_gui/Info.plist | 4 ++-- release/one_click_macos_gui/create_installer_macos.sh | 2 +- release/one_click_macos_gui/distribution.xml | 2 +- release/one_click_windows_gui/create_installer_windows.sh | 2 +- release/one_click_windows_gui/pydiaid_innoinstaller.iss | 2 +- 9 files changed, 10 insertions(+), 10 deletions(-) diff --git a/misc/bumpversion.cfg b/misc/bumpversion.cfg index cef6d44..3fc6512 100644 --- a/misc/bumpversion.cfg +++ b/misc/bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 0.0.15 +current_version = 0.0.16 commit = True tag = False parse = (?P\d+)\.(?P\d+)\.(?P\d+)(\-(?P[a-z]+)(?P\d+))? diff --git a/pydiaid/__init__.py b/pydiaid/__init__.py index c6a4398..9cf2375 100644 --- a/pydiaid/__init__.py +++ b/pydiaid/__init__.py @@ -2,7 +2,7 @@ __project__ = "pydiaid" -__version__ = "0.0.15" +__version__ = "0.0.16" __license__ = "Apache" __description__ = "An open-source Python package of the AlphaPept ecosystem" __author__ = "Patricia Skowronek, Sander Willems, Eugenia Voytik" diff --git a/release/one_click_linux_gui/control b/release/one_click_linux_gui/control index 4b1cc80..dc47242 100644 --- a/release/one_click_linux_gui/control +++ b/release/one_click_linux_gui/control @@ -1,5 +1,5 @@ Package: pydiaid -Version: 0.0.15 +Version: 0.0.16 Architecture: all Maintainer: Mann Labs Description: py_diAID diff --git a/release/one_click_linux_gui/create_installer_linux.sh b/release/one_click_linux_gui/create_installer_linux.sh index bf00e2d..3940897 100644 --- a/release/one_click_linux_gui/create_installer_linux.sh +++ b/release/one_click_linux_gui/create_installer_linux.sh @@ -17,7 +17,7 @@ python setup.py sdist bdist_wheel # Setting up the local package cd release/one_click_linux_gui # Make sure you include the required extra packages and always use the stable or very-stable options! -pip install "../../dist/pydiaid-0.0.15-py3-none-any.whl[stable]" +pip install "../../dist/pydiaid-0.0.16-py3-none-any.whl[stable]" # Creating the stand-alone pyinstaller folder pip install pyinstaller==4.10 diff --git a/release/one_click_macos_gui/Info.plist b/release/one_click_macos_gui/Info.plist index 59188cd..25d528d 100644 --- a/release/one_click_macos_gui/Info.plist +++ b/release/one_click_macos_gui/Info.plist @@ -9,9 +9,9 @@ CFBundleIconFile alpha_logo.icns CFBundleIdentifier - pydiaid.0.0.15 + pydiaid.0.0.16 CFBundleShortVersionString - 0.0.15 + 0.0.16 CFBundleInfoDictionaryVersion 6.0 CFBundleName diff --git a/release/one_click_macos_gui/create_installer_macos.sh b/release/one_click_macos_gui/create_installer_macos.sh index 722aec0..622402c 100644 --- a/release/one_click_macos_gui/create_installer_macos.sh +++ b/release/one_click_macos_gui/create_installer_macos.sh @@ -20,7 +20,7 @@ python setup.py sdist bdist_wheel # Setting up the local package cd release/one_click_macos_gui -pip install "../../dist/pydiaid-0.0.15-py3-none-any.whl[stable]" +pip install "../../dist/pydiaid-0.0.16-py3-none-any.whl[stable]" # Creating the stand-alone pyinstaller folder pip install pyinstaller==4.7 diff --git a/release/one_click_macos_gui/distribution.xml b/release/one_click_macos_gui/distribution.xml index b1f93f0..38b5e10 100644 --- a/release/one_click_macos_gui/distribution.xml +++ b/release/one_click_macos_gui/distribution.xml @@ -1,6 +1,6 @@ - py_diAID 0.0.15 + py_diAID 0.0.16 diff --git a/release/one_click_windows_gui/create_installer_windows.sh b/release/one_click_windows_gui/create_installer_windows.sh index 366d9e4..0db17fa 100644 --- a/release/one_click_windows_gui/create_installer_windows.sh +++ b/release/one_click_windows_gui/create_installer_windows.sh @@ -17,7 +17,7 @@ python setup.py sdist bdist_wheel # Setting up the local package cd release/one_click_windows_gui # Make sure you include the required extra packages and always use the stable or very-stable options! -pip install "../../dist/pydiaid-0.0.15-py3-none-any.whl[stable]" +pip install "../../dist/pydiaid-0.0.16-py3-none-any.whl[stable]" # Creating the stand-alone pyinstaller folder pip install pyinstaller==4.10 diff --git a/release/one_click_windows_gui/pydiaid_innoinstaller.iss b/release/one_click_windows_gui/pydiaid_innoinstaller.iss index 105293b..4b480e6 100644 --- a/release/one_click_windows_gui/pydiaid_innoinstaller.iss +++ b/release/one_click_windows_gui/pydiaid_innoinstaller.iss @@ -2,7 +2,7 @@ ; SEE THE DOCUMENTATION FOR DETAILS ON CREATING INNO SETUP SCRIPT FILES! #define MyAppName "py_diAID" -#define MyAppVersion "0.0.15" +#define MyAppVersion "0.0.16" #define MyAppPublisher "Max Planck Institute of Biochemistry, Mann Labs" #define MyAppURL "https://github.com/MannLabs/pydiaid" #define MyAppExeName "pydiaid_gui.exe"