Merge pull request #206 from compomics/backport/timstof-model

Backport timstof model from 4.0 dev release to 3.12 release

Author: RalfG

.github/workflows/test.yml

@@ -26,7 +26,7 @@ jobs:
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
-        pip install wheel flake8 pytest oldest-supported-numpy pandas cython tables
+        pip install wheel flake8 pytest oldest-supported-numpy cython
     - name: Lint with flake8
       run: |
         # stop the build if there are Python syntax errors or undefined names

ms2pip/ms2pipC.py

@@ -180,6 +180,20 @@
             "model_20220104_CID_TMT_Y.xgboost": "299539179ca55d4ac82e9aed6a4e0bd134a9a41e",
         },
     },
+    "timsTOF": {
+        "id": 12,
+        "ion_types": ["B", "Y"],
+        "peaks_version": "general",
+        "features_version": "normal",
+        "xgboost_model_files": {
+            "b": "model_20230912_timsTOF_B.xgboost",
+            "y": "model_20230912_timsTOF_Y.xgboost",
+        },
+        "model_hash": {
+            "model_20230912_timsTOF_B.xgboost": "6beb557052455310d8c66311c86866dda8291f4b",
+            "model_20230912_timsTOF_Y.xgboost": "8edd87e0fba5f338d0a0881b5afbcf2f48ec5268",
+        },
+    },
 }
 MODELS["HCD"] = MODELS["HCD2021"]
 

setup.py

@@ -6,7 +6,7 @@
 from setuptools import setup
 from setuptools.extension import Extension
 
-VERSION = "3.11.0"
+VERSION = "3.12.0"
 
 NAME = "ms2pip"
 LICENSE = "apache-2.0"