leonarski_f
680c36c20d
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* `rugnux --mode calibration` writes `<prefix>.json` beside the `.poni`, whose `dataset_settings` member is a `jfjoch_broker` `dataset_settings` body as it stands. * `rugnux` and `jfjoch_viewer` read PILATUS miniCBF sweeps natively, without conversion. * Masters written by other facilities open, including Eiger 1.x and third-party NXmx variants. * `rugnux` measures the beam centre on every run, and indexes with it when the file's value indexes nothing. * A detector swung out on a 2theta arm is placed where the file says it stands, and the calibration can hold the tilt fixed. * `rugnux` writes the unmerged MTZ by default, and a P1 merge beside it, so a wrong space group can be re-merged without reprocessing. * Significant improvements to symmetry handling in `rugnux`: the lattice, the point group, the setting and the systematic absences. * The `rugnux` report gives the resolution the CC1/2 fit reached, beside the range the reflections were written to. * The `rugnux` report gives the twinning statistics measured before the space group was decided, beside the ones measured after. * The `rugnux` report gives the strong-direction diffraction limit, and warns when CC1/2 is not monotone with resolution. * `rugnux` ranks screw axes on the evidence their absences carry, rather than on how many control reflections a candidate happens to have. * Twinning is no longer reported when the L-test contradicts it. * The `rugnux` report gives the detector tilt, the measured tilt and the direct beam beside the beam centre, and a post-refined beam centre is judged against the run's own measurement rather than the file's. * `--no-refine-tilt` holds the detector tilt at the value in the file, instead of zeroing it, when the calibration starts from the spots. * The `jfjoch_viewer` grid scan view draws the cells in the proportion of the scan steps, so the map has the shape of the scanned area. Reviewed-on: #76 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
68 lines
1.9 KiB
C++
68 lines
1.9 KiB
C++
// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#pragma once
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#include <ostream>
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#include <vector>
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class Coord {
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public:
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float x,y,z;
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Coord();
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Coord(const float in[3]);
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Coord(float x, float y, float z);
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void swap(Coord& other) noexcept;
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Coord operator+(const Coord &in) const;
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Coord operator-(const Coord &in) const;
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Coord operator*(float in) const;
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Coord operator/(float in) const;
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Coord operator-() const;
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Coord& operator+=(const Coord &in);
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Coord& operator-=(const Coord &in);
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Coord& operator*=(float in);
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Coord& operator/=(float in);
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bool operator==(const Coord &other) const;
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Coord operator%(const Coord &in) const; // Cross product
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float operator*(const Coord &in) const; // Dot product
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const float& operator[](int64_t val) const;
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float& operator[](int64_t val);
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float Length() const;
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Coord Normalize() const;
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friend std::ostream &operator<<( std::ostream &output, const Coord &in );
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};
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Coord operator*(float in1, const Coord& in2);
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inline void swap(Coord& a, Coord& b) noexcept;
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float angle_deg(const Coord &in1, const Coord &in2);
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class RotMatrix {
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float v[3][3];
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public:
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RotMatrix();
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RotMatrix(float alpha, const Coord &dir);
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// From three columns. Only the arithmetic is enforced, not orthogonality - this is how a
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// detector orientation is built from its fast, slow and normal axes.
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RotMatrix(const Coord &col0, const Coord &col1, const Coord &col2);
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[[nodiscard]] Coord Column(int64_t i) const;
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Coord operator*(const Coord &in) const;
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RotMatrix operator*(const RotMatrix &other) const;
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RotMatrix invert() const;
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RotMatrix transpose() const;
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RotMatrix operator!() const;
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std::vector<float> arr() const;
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};
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inline void swap(Coord& a, Coord& b) noexcept {
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a.swap(b);
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}
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