Vessel Element

[dpatelev]

• I am a developer

Description

Ongoing implementation of a new element to record reaction vessels and other equipments in the ELN.

The purpose of this element is to allow users to create a vessel template (similar to molecules) for their reaction vessels / equipment, and assign a vessel entity (akin to samples) to a reaction.

The basis of this comes from a generic element implementation, that allows for the user to pick between vessels (various flasks / beakers), reactors (flow reactors, electrochemical cells) and other equipment (TBD), and state the material details and volume.

Back end - database model - https://github.com/ComPlat/chemotion_ELN/pull/1548 API - functional Front end - functional, needs refining & CSS

[jhmegorei]

Can you add a description what reaction vessels are and how you would model them in the context of the ELN?

[dpatelev]

Regarding the lists of flasks, reactors, equipment + materials, here is what is currently included in the basic generic element implementation, which was provided to me by @nicolejung :

Vessel / Flasks:

• multineck flask
• Schlenk flask
• tube
• schlenk tube
• vial
• microwave vial
• coil
• cuvette
• beaker
• erlenmeyer flask
• pressure flask (not sure what this is exactly, a Buchner flask?)
• round bottomed flask
• NMR tube
• wellplate - this will have to be linked with the wellplate functionality!

Reactors:

• flow reactor
• flow microreactor
• electrochemical cell
• pressure reactor
• continuous stirred tank reactor
• packed bed reactor

Equipment: N/A

Materials:

• PTFE
• glass
• polypropylene
• metal
• quartz
• PFA
• brown glass
• plastic

Catering to all users with these lists will prove difficult, perhaps it may be better to leave the specifics to the users themselves?

[dpatelev]

For developers: please see PR #1476 for the initial model and API implementation for this element.

[cbuggle]

The "Back end - database model" part is provided by [#1548] which when merged eventually renders [#1476] obsolete.