فهرست منبع

Debbuged asAtoms in helper.ts, which enables operation using this function such as byresidue and neighbor. In addition, min-spelling in neighbor operation fixed: neighbour -> neighbor

yakomaxa 2 سال پیش
والد
کامیت
6bd7390eb8
2فایلهای تغییر یافته به همراه4 افزوده شده و 4 حذف شده
  1. 1 1
      src/mol-script/transpilers/helper.ts
  2. 3 3
      src/mol-script/transpilers/pymol/operators.ts

+ 1 - 1
src/mol-script/transpilers/helper.ts

@@ -332,7 +332,7 @@ export function atomNameSet(ids: string[]) {
 export function asAtoms(e: Expression) {
     return B.struct.generator.queryInSelection({
         0: e,
-        query: B.struct.generator.atomGroups()
+        query: B.struct.generator.all()
     });
 }
 

+ 3 - 3
src/mol-script/transpilers/pymol/operators.ts

@@ -315,11 +315,11 @@ export const operators: OperatorList = [
     },
     {
         '@desc': 'Selects atoms directly bonded to s1, excludes s1.',
-        '@examples': ['NEIGHBOUR resn CYS'],
-        name: 'neighbour',
+        '@examples': ['NEIGHBOR resn CYS'],
+        name: 'neighbor',
         type: h.prefix,
         abbr: ['nbr.'],
-        rule: h.prefixOp(/NEIGHBOUR|nbr\./i),
+        rule: h.prefixOp(/NEIGHBOR|nbr\./i),
         map: (op: string, selection: Expression) => {
             return B.struct.modifier.exceptBy({
                 '0': h.asAtoms(