diff --git a/makefile b/makefile index 20e972a..48e61de 100644 --- 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 index 3db757d..d770692 100644 --- 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 index 5d1aab7..a34dbcd 100644 --- 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',