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° | WarnIsError | - | Treat warnings as errors |
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| | | Command | | Argument | | Datatype | | Default | | Min | | Max | |
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| Format: | | WarnIsError | Flag = On | Off | | STRING | | - |
| - | | - | | |
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| Python: | | WarnIsError(flag) |
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| Menu: | | Simulation > Simulator > Warning is error | | ||||||||||
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| Related: | | OnError | | ||||||||||
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| Required: | |  | |
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The WarnIsError
command sets the way how simulation warnings are handled.
When a simulation warning occurs (cis-peptide bonds
, wrong isomeres, or cell explosion), YASARA normally corrects the problem and continues. If you are running a realistic simulation,
that is not what you want, because the warning may indicate a serious problem, and its automatic correction is certainly not
'realistic'. WarnIsError allows to treat warnings as errors,
halt any running macro and also exit YASARA with an error code
.
Example 1:
WarnIsError On
Treat all simulation warnings as errors.
Example 2:
WarnIsError Off
Just continue a running simulation, even if something went wrong.