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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -305,20 +305,25 @@ function readinputyml(fname::String)
305305 if " adjlist" in keys (d)
306306 try
307307 d[" atomnums" ],d[" bondnum" ],d[" molecularweight" ] = getatomdictadjlist (d[" adjlist" ])
308- catch
309- @warn (" failed to generate molecular information from smiles for species $spcname " )
308+ catch e
309+ showerror (stdout , e)
310+ display (stacktrace (catch_backtrace ()))
310311 @warn (" failed to generate molecular information from adjlist for species $spcname " )
311312 end
312313 elseif " smiles" in keys (d)
313314 try
314315 d[" atomnums" ],d[" bondnum" ],d[" molecularweight" ] = getatomdictsmiles (d[" smiles" ])
315- catch
316+ catch e
317+ showerror (stdout , e)
318+ display (stacktrace (catch_backtrace ()))
316319 @warn (" failed to generate molecular information from smiles for species $spcname " )
317320 end
318321 elseif " inchi" in keys (d)
319322 try
320323 d[" atomnums" ],d[" bondnum" ],d[" molecularweight" ] = getatomdictinchi (d[" inchi" ])
321- catch
324+ catch e
325+ showerror (stdout , e)
326+ display (stacktrace (catch_backtrace ()))
322327 @warn (" failed to generate molecular information from inchi for species $spcname " )
323328 end
324329 end
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