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#225 – Add support for stereo CIP values in ket format (#2501)
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Nitvex authored Apr 20, 2023
1 parent 77e13a0 commit 6b9800b
Showing 1 changed file with 2 additions and 0 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -70,6 +70,7 @@ function atomToKet(source) {
ifDef(result, 'isotope', source.isotope, 0)
ifDef(result, 'radical', source.radical, 0)
ifDef(result, 'attachmentPoints', source.attpnt, 0)
ifDef(result, 'cip', source.cip, '')
// stereo
ifDef(result, 'stereoLabel', source.stereoLabel, null)
ifDef(result, 'stereoParity', source.stereoCare, 0)
Expand Down Expand Up @@ -120,6 +121,7 @@ function bondToKet(source) {
ifDef(result, 'stereo', source.stereo, 0)
ifDef(result, 'topology', source.topology, 0)
ifDef(result, 'center', source.reactingCenterStatus, 0)
ifDef(result, 'cip', source.cip, '')

return result
}
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