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Commit bb7380ae authored by Alexander Rose's avatar Alexander Rose
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tweaked assmbly operator name to include a reference to the original (mmcif) operator

parent 4ea11637
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......@@ -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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