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fix(metadata): restore TlsGroup tensor initialization #428

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fix(metadata): restore TlsGroup tensor initialization #428

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6 changes: 3 additions & 3 deletions include/gemmi/metadata.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -117,9 +117,9 @@ struct TlsGroup {
std::string id; ///< TLS group identifier string
std::vector<Selection> selections; ///< Chain/residue ranges in this group
Position origin; ///< Origin of libration and screw axes (x, y, z)
SMat33<double> T; ///< Translation tensor (Ų)
SMat33<double> L; ///< Libration tensor (rotational, radians²)
Mat33 S; ///< Screw rotation tensor (radians/Ångström)
SMat33<double> T = {NAN, NAN, NAN, NAN, NAN, NAN}; ///< Translation tensor (Ų)
SMat33<double> L = {NAN, NAN, NAN, NAN, NAN, NAN}; ///< Libration tensor (rotational, radians²)
Mat33 S = Mat33{NAN}; ///< Screw rotation tensor (radians/Ångström)
};

/// @brief Refinement statistics for a resolution shell or overall data.
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