Closed mawright closed 1 year ago
Hi y'all, love the library. It's been a huge help for me so far. I wanted to make use of the foldcomp integration but it isn't creating the Protein data objects correctly.
Describe the bug This part here in fc_to_pyg: https://github.com/a-r-j/graphein/blob/47d9dde5e5dc2cd085269520d2ccf34ced1d6b68/graphein/ml/datasets/foldcomp_dataset.py#L297-L305 tries to construct a Protein object, but Protein's init method looks like https://github.com/a-r-j/graphein/blob/47d9dde5e5dc2cd085269520d2ccf34ced1d6b68/graphein/protein/tensor/data.py#L134-L136
fc_to_pyg
Protein
so trying to get proteins out of FoldCompDataset always errors with TypeError: __init__() got an unexpected keyword argument 'coords'
FoldCompDataset
TypeError: __init__() got an unexpected keyword argument 'coords'
To Reproduce Steps to reproduce the behavior:
Expected behavior FoldCompDataset to iterate through Protein objects
Desktop (please complete the following information):
Hey @mawright thanks for pointing this out. I’d fixed this locally and forgotten to update this. Will merge as soon as tests pass. Apologies!
Thanks!
Hi y'all, love the library. It's been a huge help for me so far. I wanted to make use of the foldcomp integration but it isn't creating the Protein data objects correctly.
Describe the bug This part here in
fc_to_pyg
: https://github.com/a-r-j/graphein/blob/47d9dde5e5dc2cd085269520d2ccf34ced1d6b68/graphein/ml/datasets/foldcomp_dataset.py#L297-L305 tries to construct aProtein
object, butProtein
's init method looks like https://github.com/a-r-j/graphein/blob/47d9dde5e5dc2cd085269520d2ccf34ced1d6b68/graphein/protein/tensor/data.py#L134-L136so trying to get proteins out of
FoldCompDataset
always errors withTypeError: __init__() got an unexpected keyword argument 'coords'
To Reproduce Steps to reproduce the behavior:
Expected behavior
FoldCompDataset
to iterate throughProtein
objectsDesktop (please complete the following information):