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lines changed Original file line number Diff line number Diff line change @@ -305,20 +305,25 @@ function readinputyml(fname::String)
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if " adjlist" in keys (d)
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try
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d[" atomnums" ],d[" bondnum" ],d[" molecularweight" ] = getatomdictadjlist (d[" adjlist" ])
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- catch
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- @warn (" failed to generate molecular information from smiles for species $spcname " )
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+ catch e
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+ showerror (stdout , e)
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+ display (stacktrace (catch_backtrace ()))
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@warn (" failed to generate molecular information from adjlist for species $spcname " )
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end
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elseif " smiles" in keys (d)
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try
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d[" atomnums" ],d[" bondnum" ],d[" molecularweight" ] = getatomdictsmiles (d[" smiles" ])
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- catch
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+ catch e
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+ showerror (stdout , e)
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+ display (stacktrace (catch_backtrace ()))
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@warn (" failed to generate molecular information from smiles for species $spcname " )
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end
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elseif " inchi" in keys (d)
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try
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d[" atomnums" ],d[" bondnum" ],d[" molecularweight" ] = getatomdictinchi (d[" inchi" ])
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- catch
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+ catch e
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+ showerror (stdout , e)
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+ display (stacktrace (catch_backtrace ()))
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@warn (" failed to generate molecular information from inchi for species $spcname " )
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end
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end
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