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Commit 2d80935e authored by Alexander Rose's avatar Alexander Rose
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ignore non-identity 'given' NCS operators

parent 4287d158
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...@@ -76,6 +76,8 @@ function getNcsOperators(format: mmCIF_Format) { ...@@ -76,6 +76,8 @@ function getNcsOperators(format: mmCIF_Format) {
const m = Tensor.toMat3(Mat3(), matrixSpace, matrix.value(i)); const m = Tensor.toMat3(Mat3(), matrixSpace, matrix.value(i));
const v = Tensor.toVec3(Vec3(), vectorSpace, vector.value(i)); const v = Tensor.toVec3(Vec3(), vectorSpace, vector.value(i));
if (!SymmetryOperator.checkIfRotationAndTranslation(m, v)) continue; if (!SymmetryOperator.checkIfRotationAndTranslation(m, v)) continue;
// ignore non-identity 'given' NCS operators
if (struct_ncs_oper.code.value(i) === 'given' && !Mat3.isIdentity(m) && !Vec3.isZero(v)) continue;
const ncsId = id.value(i) const ncsId = id.value(i)
opers[opers.length] = SymmetryOperator.ofRotationAndOffset(`ncs_${ncsId}`, m, v, ncsId); opers[opers.length] = SymmetryOperator.ofRotationAndOffset(`ncs_${ncsId}`, m, v, ncsId);
} }
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