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Importing and exporting to java saves template for reverse reactions. #22

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rwest opened this issue Aug 29, 2013 · 1 comment
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@rwest
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rwest commented Aug 29, 2013

I believe this reverse template is generated at startup from the forwards template, for both Java and Python versions, and should not need to be saved in the database file.

This may in fact be a bug from importing the Java database, rather than exporting it. ( edit: I now think it's most likely an export problem). Either way, a round-trip from Java to Python to Java adds some entries to the dictionary that RMG-Java then cannot read.

eg. in R_Addition_MultipleBond/dictionary.txt, this appears:

YXZ.6
1 *1 Os        0 {2,S} {4,S}
2 *2 {Sid,SiO} 1 {1,S} {3,D}
3    Od        0 {2,D}
4 *3 R         0 {1,S}
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rwest commented Aug 29, 2013

@rwest rwest closed this as completed Aug 29, 2013
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