From bb7380aeea466bc815cdeea96576f8aa148a6182 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Thu, 30 Aug 2018 18:00:16 -0700
Subject: [PATCH] tweaked assmbly operator name to include a reference to the
original (mmcif) operator
---
src/mol-model/structure/model/formats/mmcif/assembly.ts | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/src/mol-model/structure/model/formats/mmcif/assembly.ts b/src/mol-model/structure/model/formats/mmcif/assembly.ts
index e89690e17..ddc0e6f47 100644
--- a/src/mol-model/structure/model/formats/mmcif/assembly.ts
+++ b/src/mol-model/structure/model/formats/mmcif/assembly.ts
@@ -110,14 +110,14 @@ function expandOperators1(operatorNames: string[][], list: string[][], i: number
function getAssemblyOperators(matrices: Matrices, operatorNames: string[][], startIndex: number) {
const operators: SymmetryOperator[] = [];
- let index = startIndex;
for (let op of operatorNames) {
let m = Mat4.identity();
for (let i = 0; i < op.length; i++) {
Mat4.mul(m, m, matrices.get(op[i])!);
}
- index++;
- operators[operators.length] = SymmetryOperator.create(`A-${index}`, m);
+ // TODO currently using the original operator name for the symmetry operator to be able
+ // to link it to the original operator but it might be clearer to introduce an extra field???
+ operators[operators.length] = SymmetryOperator.create(`A-${op.join(',')}`, m);
}
return operators;
--
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