updates on repository

lifs-tools · Mar 20, 2024 · 665a4bd · 665a4bd
1 parent fb0b0cf
commit 665a4bd
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Showing 3 changed files with 8 additions and 3 deletions.
diff --git a/makefile b/makefile
@@ -22,10 +22,10 @@ build:
 	python3 -m build --sdist
 
 uploadtest:
-	python3 -m twine upload --repository testpypi dist/*
+	python3 -m twine upload --repository testpypi dist/* -u __token__ -p PERSONAL_TOKEN
 
 upload:
-	python3 -m twine upload dist/*
+	python3 -m twine upload dist/* -u __token__ -p PERSONAL_TOKEN
 
 # upload to pypi:
 # distclean

diff --git a/pygoslin/domain/HeadGroup.py b/pygoslin/domain/HeadGroup.py
@@ -56,6 +56,11 @@
 class HeadGroup:
     def __init__(self, headgroup, decorators = None, use_headgroup = False):
         self.decorators = [d for d in decorators] if decorators != None else []
+        self.parsed_headgroup = get_class(headgroup)
+        if self.parsed_headgroup == UNDEFINED_LIPID_CLASS:
+            self.parsed_headgroup = headgroup
+        else:
+            self.parsed_headgroup = all_lipids[self.parsed_headgroup]["name"]
 
         # checking if head group is a glyco-sphingolipid
         hg = headgroup.strip(" ").lower()

diff --git a/setup.py b/setup.py
@@ -42,7 +42,7 @@
 
 setup(
     name = 'pygoslin',
-    version = '2.1.0',
+    version = '2.1.3',
     url = 'https://github.com/lifs-tools/pygoslin',
     license = 'MIT',
     author = 'Dominik Kopczynski',