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Add new settings for ACS style for convert and layout functions #2176
Labels
ACS standard
phase III
SVG/PNG
Bucket: Bugs related to SVG/PNG export
Team G
Test Cases Written
Test cases has been written for that issue
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AnnaKosol
added
SVG/PNG
Bucket: Bugs related to SVG/PNG export
phase III
Team G
ACS standard
labels
Aug 2, 2024
AlexanderSavelyev
changed the title
Add new settings
Add new settings for ACS style for convert, layout and clean-up functions
Aug 5, 2024
AnnaKosol
changed the title
Add new settings for ACS style for convert, layout and clean-up functions
Add new settings for ACS style for convert and layout functions
Aug 15, 2024
This was referenced Sep 3, 2024
AliaksandrDziarkach
added a commit
that referenced
this issue
Sep 18, 2024
Co-authored-by: Aliaksandr Dziarkach <18146690+AliaksandrDziarkach@users.noreply.github.com> Co-authored-by: Aliakasndr Dziarkach <Aliakasndr.Dziarkach@gmail.com>
This was referenced Oct 7, 2024
This was referenced Nov 28, 2024
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Labels
ACS standard
phase III
SVG/PNG
Bucket: Bugs related to SVG/PNG export
Team G
Test Cases Written
Test cases has been written for that issue
Background
Related issue: epam/ketcher#5152 need to add new settings.
Solution
When calling indigo's functions such as layout, convert on the Canvas, new settings parameters should be processed.
List of the new settings in the JSON of the Settings:
bond-length-unit: "px"
bond-length: 2.2
Reaction margin size should be applied both for distance between plus and component and between arrow and component
structure bounding box
(should be equal distance)Structure bounding box
should be calculated asatoms bounding box
+ defaultatom label margin
=0.5Default bond length
For simple atoms
atoms bounding box
is a dot in center of the atomDefault size of the
plus
element by default equals 0.5bond-length
reaction-component-margin-size-unit: "px"
reaction-component-margin-size: default value = 2.3 pt
image-resolution
bond-length-unit
values can be in cm/pt/px/inbond-length
number with 1 decimal placesreaction-component-margin-size-unit
values can be in cm/pt/px/inreaction-component-margin-size
number with 1 decimal placesimage-resolution
should be a number;Regardless of the resolution, the size of the image should be such that one bond is ~0,5cm (0,2in/14,4pt) long when printed/100% zoom.
Additional information
1 inch = 72 pt
1 inch = 2.54 cm
1 angstrom = 1e-8 cm
PPI = pixels per inch = sqrt(w^2 + h^2) /d
where w - width in px, h - height in px, d - diagonal in inches
if PPI = 100 then 1px = 0.01 in
reactionComponentMarginSize - horizontal & vertical margins
SMILES for testing
OC(=O)C.OCCC>>CC(=O)OCCCC.O
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