#1820 – removed modifiedStruct from templates

epam · Dec 5, 2022 · f9a4b36 · f9a4b36
1 parent e168b62
commit f9a4b36
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Showing 3 changed files with 30 additions and 33 deletions.
diff --git a/packages/ketcher-react/src/script/ui/component/structrender.tsx b/packages/ketcher-react/src/script/ui/component/structrender.tsx
@@ -17,27 +17,36 @@
 import { Component, ComponentType, createRef } from 'react'
 import { MolSerializer, Render, Struct } from 'ketcher-core'
 
+/**
+ * for S-Groups we want to show expanded structure
+ * without brackets
+ */
+function prepareStruct(struct: Struct) {
+  if (struct.sgroups.size > 0) {
+    const newStruct = struct.clone()
+    newStruct.sgroups.delete(0)
+    return newStruct
+  }
+  return struct
+}
+
 function renderStruct(
   el: HTMLElement | null,
   struct: Struct | null,
   options = {}
 ) {
-  if (el) {
-    if (struct) {
-      console.info('render!', el.clientWidth, el.clientWidth)
-      struct.initHalfBonds()
-      struct.initNeighbors()
-      struct.setImplicitHydrogen()
-      struct.markFragments()
-      const rnd = new Render(el, {
-        autoScale: true,
-        ...options
-      })
-      rnd.setMolecule(struct)
-      rnd.update()
-      // console.info('render!');//, el.innerHTML);
-      // struct.prerender = el.innerHTML;
-    }
+  if (el && struct) {
+    const preparedStruct = prepareStruct(struct)
+    preparedStruct.initHalfBonds()
+    preparedStruct.initNeighbors()
+    preparedStruct.setImplicitHydrogen()
+    preparedStruct.markFragments()
+    const rnd = new Render(el, {
+      autoScale: true,
+      ...options
+    })
+    rnd.setMolecule(preparedStruct)
+    rnd.update()
   }
 }
 

diff --git a/packages/ketcher-react/src/script/ui/dialog/template/TemplateDialog.tsx b/packages/ketcher-react/src/script/ui/dialog/template/TemplateDialog.tsx
@@ -75,7 +75,7 @@ interface TemplateLibProps {
   selected: Template
   mode: string
   initialTab: number
-  saltsAndSolvents: (Template & { modifiedStruct: Struct })[]
+  saltsAndSolvents: Template[]
 }
 
 interface TemplateLibCallProps {
@@ -86,7 +86,7 @@ interface TemplateLibCallProps {
   onFilter: (filter: string) => void
   onOk: (res: any) => void
   onSelect: (res: any) => void
-  functionalGroups: (Template & { modifiedStruct: Struct })[]
+  functionalGroups: Template[]
 }
 
 type Props = TemplateLibProps & TemplateLibCallProps
@@ -357,23 +357,12 @@ const TemplateDialog: FC<Props> = (props) => {
   )
 }
 
-/*
-  Think, this is a kind of workaround for some logic.
-  Without it only names of structures are rendered in dialog
-  instead of chemical structure.
-*/
-const removeSgroup = (template) => {
-  const struct = template.struct.clone()
-  struct.sgroups.delete(0)
-  return { ...template, modifiedStruct: struct }
-}
-
 export default connect(
   (store) => ({
     ...omit(['attach'], (store as any).templates),
     initialTab: (store as any).modal?.prop?.tab,
-    functionalGroups: functionalGroupsSelector(store).map(removeSgroup),
-    saltsAndSolvents: saltsAndSolventsSelector(store).map(removeSgroup)
+    functionalGroups: functionalGroupsSelector(store),
+    saltsAndSolvents: saltsAndSolventsSelector(store)
   }),
   (dispatch: Dispatch<any>, props) => ({
     onFilter: (filter) => dispatch(changeFilter(filter)),

diff --git a/packages/ketcher-react/src/script/ui/dialog/template/TemplateTable.tsx b/packages/ketcher-react/src/script/ui/dialog/template/TemplateTable.tsx
@@ -24,7 +24,6 @@ import Icon from 'src/script/ui/component/view/icon'
 
 export interface Template {
   struct: Struct
-  modifiedStruct?: Struct // TODO: Do something with that, in future it shouldn't be here
   props: {
     atomid: number
     bondid: number
@@ -70,7 +69,7 @@ const RenderTmpl: FC<{
 }> = ({ tmpl, options, ...props }) => {
   return (
     <StructRender
-      struct={tmpl.modifiedStruct || tmpl.struct}
+      struct={tmpl.struct}
       options={{ ...options, autoScaleMargin: 15 }}
       {...props}
     />