Closed sneumann closed 2 years ago
Hi,
docker run --rm -it gcr.io/steffen-nfdi-spielplatz/surge:0.4 surge -o/tmp/h2o.smi H2O OH2 H=2 O=1 nv=1 edges=0-0 DBE=0 maxd=2 >E geng: impossible mine,maxe,mindeg,maxdeg values >E Usage: geng [-cCmtfbd#D#] [-uygsnh] [-lvq] [-x#X#] n [mine[:maxe]] [res/mod] [file] Use geng_surge -help to see more detailed instructions.
Might be a regression over 0.3, which works:
docker run --rm -it gcr.io/steffen-nfdi-spielplatz/surge:0.3 surge -o/tmp/h2o.smi C2H6O C2OH6 H=6 C=2 O=1 nv=3 edges=2-2 DBE=0 maxd=4 >Z wrote 1 -> 2 -> 2 in 0.00 sec
Or, as the error implies, wasn't meant for H2O :-) Yours, Steffen
The issue is solved in the V.0.5.
Hi,
Might be a regression over 0.3, which works:
Or, as the error implies, wasn't meant for H2O :-) Yours, Steffen