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node labels split by newline in chem_annotated.inp
Bug Description
Some of the reaction tree node labels are getting split up when I try to read in the chem_annotated.inp file.
How To Reproduce
- Checkout a version of RMG-database that has the new reaction family trees. I used tree_gen_Disproportionation
- Run RMG to generate the chem_annotated.inp file
- Read the chem_annotated.inp using rmgpy.chemkin.load_chemkin_file
- some of the node labels that are split onto separate lines in the chem_annotated.inp file have been split by spaces when you read them into the reaction objects. For example, when I used the ethane model, this node is split: "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-"
Expected Behavior
I do not expect to see spaces in the node names when I read them in, but they are there for some of the long node names that extend to more than one line in the chem_annotated.inp file.
Installation Information
Describe your installation method and system information.
- OS (include version if known): Windows Subsystem Linux, Ubuntu 20.04.1 LTS
- Installation method: source
- RMG version information: 3.0.0-728-gcf94d44d9
- RMG-Py: cf94d44
- RMG-database: tree_gen_Disproportionation
Additional Context
I found this while using rmgpy.tools.uncertainty to estimate reaction rate uncertainties for reaction rates using the new trees.