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Update proto (textures, well plate locations) #595

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May 26, 2021
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7 changes: 7 additions & 0 deletions ord_schema/proto/reaction.proto
Original file line number Diff line number Diff line change
Expand Up @@ -378,6 +378,11 @@ message Vessel {
repeated VesselAttachment attachments = 5;
// Size (volume) of the vessel.
Volume volume = 6;
// Identifier number for a microtiter plate or parallel reactor run.
string plate_id = 7;
// If a well-plate was used, the position of the well for this experiment,
// e.g., "A4".
string plate_position = 8;
}

message VesselMaterial {
Expand Down Expand Up @@ -847,6 +852,8 @@ message ProductCompound {
FOAM = 6;
WAX = 7;
SEMI_SOLID = 8;
SOLID = 9;
LIQUID = 10;
}
TextureType type = 1;
// Specify texture forms such as "fine needles" for CRYSTAL,
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2 changes: 2 additions & 0 deletions ord_schema/resolvers.py
Original file line number Diff line number Diff line change
Expand Up @@ -35,6 +35,8 @@
_USERNAME = 'github-actions'
_EMAIL = 'github-actions@github.com'

# pylint: disable=consider-using-with


def canonicalize_smiles(smiles: str) -> str:
"""Canonicalizes a SMILES string.
Expand Down