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uibcdf / MolSysMT

Open source library to work with molecular systems
https://www.uibcdf.org/MolSysMT/
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Can the omnipresent argument "check" be avoided? #63

Closed dprada closed 2 years ago

dprada commented 2 years ago

Having the argument "check" everywhere in the code is annoying. Necessary at this point of the development, but probably avoidable.

For example. There could be a short way to check the validity of a set of input arguments in a function, only if they were given by an invocation out of the library's code (a script, a jupyter session, etc). Can this be implemented in a simple way?

We should also consider the following situation. If checking input arguments in functions is computationally expensive, should we give the option to the user not to do it?

dprada commented 2 years ago

This issue was partially solved. A new issue will be opened in the future to report the need of improving the decorator not to be triggered internally.