Is your feature request related to a problem? Please describe.
Reaction enumeration is a very useful tool for building datasets of many reactions to a template. There is another type of enumeration which would be useful to build support for, and that is creating repeating sub-messages within a template. For example, to describe the set of reaction outcomes at many time points in a reaction kinetics study.
Describe the solution you'd like
Some built in functions to support creating repeated sub-messages within a reaction. The following message types should be supported:
- outcomes
- observations
- measurement data inside a conditions - temperature/pressure/stirring message
The enumeration function should be usable inside notebooks, but also usable through a CLI script, and take source data as a CSV file. Refer to the reaction enumeration workflow in ord-schema scripts, but also the associated workings of enumeration in ord-app.
Once we have the functions in place, we should consider a new feature request to add a graphical workflow for this enumeration in ord-app.
Describe alternatives you've considered
The current best practice is to manually create repeated entries, or to write custom code to build the reaction message.
Is your feature request related to a problem? Please describe.
Reaction enumeration is a very useful tool for building datasets of many reactions to a template. There is another type of enumeration which would be useful to build support for, and that is creating repeating sub-messages within a template. For example, to describe the set of reaction outcomes at many time points in a reaction kinetics study.
Describe the solution you'd like
Some built in functions to support creating repeated sub-messages within a reaction. The following message types should be supported:
The enumeration function should be usable inside notebooks, but also usable through a CLI script, and take source data as a CSV file. Refer to the reaction enumeration workflow in ord-schema scripts, but also the associated workings of enumeration in ord-app.
Once we have the functions in place, we should consider a new feature request to add a graphical workflow for this enumeration in ord-app.
Describe alternatives you've considered
The current best practice is to manually create repeated entries, or to write custom code to build the reaction message.