Update to ms-mint 0.2.0

LewisResearchGroup · Mar 1, 2023 · eac777e · eac777e
1 parent 00c4703
commit eac777e
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Showing 7 changed files with 11 additions and 5 deletions.
diff --git a/entrypoint.sh b/entrypoint.sh
diff --git a/ms_mint_app/app.py b/ms_mint_app/app.py
@@ -11,6 +11,7 @@
 matplotlib.use("Agg")
 
 import dash
+
 from dash import html, dcc
 
 from dash.dependencies import Input, Output, State
@@ -23,6 +24,7 @@
 from flask_caching import Cache
 from flask_login import current_user
 
+import ms_mint
 
 from . import tools as T
 
@@ -33,6 +35,7 @@
 from . import peak_optimization
 from . import processing
 from . import add_metab
+from . import quality_control
 from . import analysis
 from . import messages
 
@@ -68,6 +71,7 @@ def make_dirs():
     add_metab,
     peak_optimization,
     processing,
+    quality_control,
     analysis,
 ]
 
@@ -234,6 +238,8 @@ def upate_tmpdir(x):
 
 def create_app(**kwargs):
 
+    logging.warning(f'ms-mint: {ms_mint.__version__}, ({ms_mint.__file__})')
+
     app = dash.Dash(
         __name__,
         external_stylesheets=[

diff --git a/ms_mint_app/pca.py b/ms_mint_app/pca.py
@@ -158,7 +158,6 @@ def create_pca(
         with sns.plotting_context("paper"):
             mint.pca.plot.pairplot(
                 labels=labels,
-                n_vars=n_components,
                 height=facet_height,
                 corner="Corner" in options,
             )

diff --git a/ms_mint_app/peak_optimization.py b/ms_mint_app/peak_optimization.py
@@ -274,7 +274,7 @@ def pko_optimise_rt_min_ma_for_all_targets(n_clicks, ms_selection, wdir):
         mint = Mint()
         mint.targets = targets.reset_index()
         mint.ms_files = ms_files
-        mint.opt.find_rt_min_max()       
+        mint.opt.rt_min_max()       
         new_targets = mint.targets
 
         T.write_targets(new_targets, wdir)

diff --git a/requirements.txt b/requirements.txt
@@ -1,4 +1,4 @@
-ms-mint==0.1.8.3
+ms-mint==0.2.0
 xlsxwriter
 waitress
 dash
@@ -15,3 +15,4 @@ email_validator
 Flask-Caching==1.10.1
 beautifulsoup4
 pandas>=1.4,<1.5
+packaging==21.3.0
diff --git a/setup.cfg b/setup.cfg
diff --git a/setup.py b/setup.py
@@ -8,7 +8,7 @@
 
 
 install_requires = [
-    "ms-mint==0.1.8.3",
+    "ms-mint==0.2.0",
     "xlsxwriter",
     "waitress",
     "dash",
@@ -17,7 +17,7 @@
     "flask_login",
     "urllib3",
     "dash_tabulator",
-    "dash_uploader==0.7.0a1",
+    "dash_uploader",
 ]