Comments (6)
I haven't really looked at the parsing function yet, the last time I tried it scared me :D
If I get around to it I'll take a look but no promises...
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I totally agree that such an error is useful. I propose to make them be triggered by the amount of atoms parsed, so if there are no atoms found when the parsing is finished it should generate an error. I would assume that a breaking error is more appropriate, but if you think otherwise please let me know.
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Yes, this is pretty much exactly what I was thinking.
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Great, then I will build it in in the future, but if you want you could also take a shot.
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So I just took a look at the parsers. It seems to me a good place for this validation would be the validate
function since it's called during the parsing of PDB and mmCIF files and has &PDB
as argument so checking for presence of any atoms would be trivial. However, the functions seems to only be used for validation of models if more than one is present. Do you think writing a separate function would be more appropriate or would expanding this one be suitable?
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I submitted a tentative pull request with the most straightworward way I could think of. I couldn't add any sensible context to the error since the validate
function doesn't have access to the file name but I think that's not much of an issue.
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Related Issues (20)
- Support pdbML HOT 2
- Add SASA support HOT 14
- Panic in `save/pdb.rs:517:29` at `Option::unwrap()` on a `None` value HOT 3
- Issues with `remove_models_except` implementation HOT 2
- Crates.io new version Request HOT 1
- Bad handling of PDB files containing mixed upper and lower case chains HOT 3
- Maybe make a Discord? HOT 2
- Bad Models in PDB HOT 1
- ReadOptions
- Utilities? HOT 6
- REMARK Line Length Enforcement HOT 2
- Fall back strategy for headerless PDB files. HOT 2
- Read option to only parse `ATOM` records HOT 5
- Finish implementing the `ReadOptions`
- Customize `StrictnessLevel` HOT 9
- Refactor long functions
- Check memory footprint
- Panic while parsing HOT 3
- Unable to load poor-quality PDBs HOT 6
- Allow for the use of compressed files HOT 4
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