We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 194ef9b commit 288be53Copy full SHA for 288be53
src/Parse.jl
@@ -292,6 +292,7 @@ function readinputyml(fname::String)
292
d["atomnums"],d["bondnum"],d["molecularweight"] = getatomdictadjlist(d["adjlist"])
293
catch
294
@warn("failed to generate molecular information from smiles for species $spcname")
295
+ @warn("failed to generate molecular information from adjlist for species $spcname")
296
end
297
elseif "smiles" in keys(d)
298
try
0 commit comments