Data transfer #18
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Data transfer #18
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davidegraff
reviewed
Nov 30, 2021
| @@ -68,11 +74,18 @@ class CalculationData: | |||
| score_mode: ScoreMode = ScoreMode.BEST | |||
| k: int = 1 | |||
| result: Optional[Result] = None | |||
| input_file_bytes: Optional[bytes] = None | |||
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is bytes the correct type here?
pyscreener/docking/data.py
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| def __post_init__(self): | ||
| self.in_path = Path(self.in_path) | ||
| self.out_path = Path(self.out_path) | ||
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| if self.input_file is not None: | ||
| with open(self.input_file, 'r') as f: |
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do we need to read in text mode?
pyscreener/docking/data.py
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| if self.input_file is not None: | ||
| with open(self.input_file, 'r') as f: | ||
| self.input_file_bytes = f.read() | ||
| f.close() |
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why close() inside a with block?
davidegraff
reviewed
Dec 6, 2021
pyscreener/docking/data.py
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| with open(self.input_file, 'rb') as f: | ||
| self.input_file_bytes = f.read() |
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can you make this a one-liner using pathlib.Path?
pyscreener/docking/data.py
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| @@ -74,16 +74,15 @@ class CalculationData: | |||
| score_mode: ScoreMode = ScoreMode.BEST | |||
| k: int = 1 | |||
| result: Optional[Result] = None | |||
| input_file_bytes: Optional[bytes] = None | |||
| input_file_bytes: Optional[str] = None | |||
|
also make sure to fix your tests so they work with the CI. You'll need to add your testing files to the repo for that |
mburlage
commented
Jan 7, 2022
| f.close() | ||
| data = CalculationData(smi, None, None, None, None, input_file = p) | ||
| assert data.input_file_bytes == file_bytes |
added 2 commits
January 13, 2022 12:59
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