Source code for ampal.ampal_warnings

from functools import wraps
import warnings



[docs]def check_availability(program, test_func, global_settings):
    def function_grabber(f):
        @wraps(f)
        def function_with_check(*args, **kwargs):
            if program in global_settings:
                if "available" not in global_settings[program]:
                    global_settings[program]["available"] = test_func()
                if global_settings[program]["available"]:
                    return f(*args, **kwargs)
            warning_string = (
                "{0} not found, side chains have not been packed.\n"
                "Check that the path to the {0} binary in `.isambard_settings` is correct.\n"
                "You might want to try rerunning `configure.py`"
            ).format(program)
            warnings.warn(warning_string, DependencyNotFoundWarning)
            return

        return function_with_check

    return function_grabber




[docs]class NoncanonicalWarning(RuntimeWarning):
    pass




[docs]class NotParameterisedWarning(RuntimeWarning):
    pass




[docs]class MalformedPDBWarning(RuntimeWarning):
    pass




[docs]class DependencyNotFoundWarning(RuntimeWarning):
    pass



warnings.simplefilter("always", DependencyNotFoundWarning)
warnings.simplefilter("once", PendingDeprecationWarning)