libAtoms / abcd

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frame numbers in error reporting #76

Open gabor1 opened 4 years ago

gabor1 commented 4 years ago

It would be really nice to report where in the file a problem occurs. e.g. when encountering raise ValueError('All the keys must be unique!'), I want to know which line triggered this in the 4MB input file...

fekad commented 4 years ago

Do you mean reading the file two times (at the first time just do the checks) or just reporting it on the fly? The error message can tell you that the nth configuration has this problem.
(Unfortunately, I don't have access to the line number because all object are read by ASE )

gabor1 commented 4 years ago

nth configuration would be pretty good too.

-- Gábor

On 4 Nov 2019, at 18:54, Adam Fekete notifications@github.com wrote:

 Do you mean reading the file two times (at the first time just do the checks) or just reporting it on the fly? The error message can tell you that the nth configuration has this problem. (Unfortunately, I don't have access to the line number because all object are read by ASE )

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