Skip to content

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

Description

@rwest

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}

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

      Milestone

      No milestone

      Relationships

      None yet

      Development

      No branches or pull requests

      Issue actions