XtalOptimizer: Use rotation angle from spot (so it should work for centroid angles)
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@@ -450,20 +450,13 @@ bool XtalOptimizerInternal(XtalOptimizerData &data,
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if (!data.index_ice_rings && pt.ice_ring)
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continue;
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Eigen::Matrix3d gonio_back_rot = Eigen::Matrix3d::Identity();
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Coord axis = Coord(1,0,0);
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float angle_rad = 0.0;
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Coord recip = data.geom.DetectorToRecip(pt.x, pt.y);
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Coord recip = pt.ReciprocalCoord(data.geom);
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if (data.axis) {
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const float angle_deg = data.axis->GetAngle_deg(pt.image) + data.axis->GetWedge_deg() / 2.0f;
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auto rot = data.axis->GetTransformationAngle(angle_deg);
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recip = rot * recip;
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angle_rad = angle_deg * M_PI / 180.0;
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axis = data.axis->GetAxis();
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recip = data.axis->GetTransformationAngle(pt.phi) * recip;
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angle_rad = pt.phi * M_PI / 180.0;
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}
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double h_fp = recip * vec0;
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