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  • Studer Gabriel's avatar
    29d1a5ba
    Keep compound library up to date for structure io · 29d1a5ba
    Studer Gabriel authored 
    The io module constructs IOProfile objects at first import.
These objects have a compound library attached via the set processor.
The result is zero effect when calling conop.SetDefaultLib after the
first import. The implemented solution allows to get the default profiles
('STRICT', 'SLOPPY', 'CHARMM', 'DEFAULT') with updated processors and thus
updated compound libraries.
    29d1a5ba
    History
    Keep compound library up to date for structure io
    Studer Gabriel authored 
    The io module constructs IOProfile objects at first import.
These objects have a compound library attached via the set processor.
The result is zero effect when calling conop.SetDefaultLib after the
first import. The implemented solution allows to get the default profiles
('STRICT', 'SLOPPY', 'CHARMM', 'DEFAULT') with updated processors and thus
updated compound libraries.