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Revert "#2257 - Unable add a bond to a Function Group" #2319

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merged 1 commit into from
Mar 10, 2023
Merged

Revert "#2257 - Unable add a bond to a Function Group" #2319

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9 changes: 4 additions & 5 deletions packages/ketcher-core/src/application/editor/actions/bond.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,8 @@ import { atomForNewBond, atomGetAttr } from './utils'
import {
fromAtomMerge,
fromStereoAtomAttrs,
mergeFragmentsIfNeeded
mergeFragmentsIfNeeded,
mergeSgroups
} from './atom'

import { Action } from './action'
Expand Down Expand Up @@ -80,8 +81,7 @@ export function fromBondAddition(
begin.fragment = frid
begin = (action.addOp(new AtomAdd(begin, pos).perform(restruct)) as AtomAdd)
.data.aid
if (typeof end === 'number')
mergeFragmentsIfNeeded(action, restruct, begin, end)
if (typeof end === 'number') mergeSgroups(action, restruct, [begin], end)
pos = pos2
} else if (atomGetAttr(restruct, begin, 'label') === '*') {
action.addOp(new AtomAttr(begin, 'label', 'C').perform(restruct))
Expand All @@ -92,8 +92,7 @@ export function fromBondAddition(
// TODO: <op>.data.aid here is a hack, need a better way to access the id of a created atom
end = (action.addOp(new AtomAdd(end, pos).perform(restruct)) as AtomAdd)
.data.aid
if (typeof begin === 'number')
mergeFragmentsIfNeeded(action, restruct, end, begin)
if (typeof begin === 'number') mergeSgroups(action, restruct, [end], begin)
} else if (atomGetAttr(restruct, end, 'label') === '*') {
action.addOp(new AtomAttr(end, 'label', 'C').perform(restruct))
}
Expand Down
14 changes: 2 additions & 12 deletions packages/ketcher-react/src/script/editor/tool/bond.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -57,8 +57,7 @@ class BondTool {
const struct = this.editor.render.ctab
const molecule = struct.molecule
const functionalGroups = molecule.functionalGroups
const itemsToFind = ['atoms', 'bonds', 'functionalGroups']
const ci = this.editor.findItem(event, itemsToFind)
const ci = this.editor.findItem(event, ['atoms', 'bonds'])
const atomResult: Array<number> = []
const bondResult: Array<number> = []
const result: Array<number> = []
Expand Down Expand Up @@ -108,7 +107,7 @@ class BondTool {
this.editor.selection(null)
this.dragCtx = {
xy0: rnd.page2obj(event),
item: ci
item: this.editor.findItem(event, ['atoms', 'bonds'])
}
if (!this.dragCtx.item)
// ci.type == 'Canvas'
Expand Down Expand Up @@ -317,15 +316,6 @@ class BondTool {
this.editor.update(
bondChangingAction(rnd.ctab, dragCtx.item.id, bond, bondProps)
)
} else if (dragCtx.item.map === 'functionalGroups') {
const groupId = dragCtx.item.id
const group = struct.sgroups.get(groupId)
const attAtomId = group?.getAttAtomId(struct)

this.editor.update(
fromBondAddition(rnd.ctab, this.bondProps, attAtomId, undefined)[0]
)
delete this.dragCtx.existedBond
}
delete this.dragCtx
}
Expand Down
32 changes: 5 additions & 27 deletions packages/ketcher-react/src/script/editor/tool/chain.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -22,8 +22,7 @@ import {
fromItemsFuse,
getHoverToFuse,
getItemsToFuse,
FunctionalGroup,
Struct
FunctionalGroup
} from 'ketcher-core'

import { atomLongtapEvent } from './atom'
Expand All @@ -45,9 +44,7 @@ class ChainTool {
const molecule = struct.molecule
const functionalGroups = molecule.functionalGroups
const rnd = this.editor.render

const itemsToFind = ['atoms', 'bonds', 'functionalGroups']
const ci = this.editor.findItem(event, itemsToFind)
const ci = this.editor.findItem(event, ['atoms', 'bonds'])
const atomResult: Array<number> = []
const bondResult: Array<number> = []
const result: Array<number> = []
Expand Down Expand Up @@ -138,19 +135,14 @@ class ChainTool {

editor.selection(null)

if (
!dragCtx.item ||
['atoms', 'functionalGroups'].includes(dragCtx.item.map)
) {
if (!dragCtx.item || dragCtx.item.map === 'atoms') {
if (dragCtx.action) {
dragCtx.action.perform(restruct)
}

const atomId = getTargetAtomId(dragCtx.item, this.editor.struct())

const atoms = restruct.molecule.atoms

const pos0 = atomId !== null ? atoms.get(atomId)?.pp : dragCtx.xy0
const pos0 = dragCtx.item ? atoms.get(dragCtx.item.id)?.pp : dragCtx.xy0

const pos1 = editor.render.page2obj(event)
const sectCount = Math.ceil(Vec2.diff(pos1, pos0).length())
Expand All @@ -164,7 +156,7 @@ class ChainTool {
pos0,
angle,
sectCount,
atomId !== null ? atomId : null
dragCtx.item ? dragCtx.item.id : null
)

editor.event.message.dispatch({
Expand Down Expand Up @@ -269,18 +261,4 @@ class ChainTool {
}
}

function getTargetAtomId(
closestItem: { id: number; map: string },
struct: Struct
): number | null {
const { id, map } = closestItem
if (map === 'atoms') return id
if (map === 'functionalGroups') {
const sgroup = struct.sgroups.get(id)
const atomId = sgroup?.getAttAtomId(struct)
return atomId !== undefined ? atomId : null
}
return null
}

export default ChainTool