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Add bond custom query field #3328
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Background
There is no way to make a SMARTS query for bonds
Solution
Add Text field to the Ketcher Bond Properties
(checkbox) "Custom query"
(input textfield)
By default, checkbox=False, text field is empty and disabled
if checkbox is true then text field is enabled, but all other controls in bond properties are disabled and should be empty
if checkbox pressed to false again, the properties should return to the initial states
after press on checkbox=true then all the current properties should be copied into the input field with ";" as a separator
-
=
#
:
~
/
\
@
Examples
e.g. if Bond Type= "Single" , Topology = "Either"
then customQuery =
-
Bond Type= "Double" , Topology = "Ring"
then customQuery =
=;@
Only one validation: input field should not be empty
If custom query is not empty UI Ketcher should display content of the custom query on the bond. Bond should be displayed on canvas as
any bond
after pressing
apply
with (customQuery not empty and checkbox=true) and press edit the bond again, press checkbox=false then the bond properties should be set to default: type=single, topology=either, center=unmarkedIn KET format customQuery should be saved into the bond object without other properties
right click menu should be available without any changes. If customQuery is defined on a bond and the type is changed by right click menu (e.g. select Single bond) - the customQuery should be removed from the bond
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