- First working version of the triple axis UB matrix code
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koennecke
187
tasublib.h
187
tasublib.h
@ -17,6 +17,64 @@
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#define UBNOMEMORY -702
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#define TRIANGLENOTCLOSED -703
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#define BADRMATRIX -704
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/*========================== defines for tasMode ====================*/
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#define KICONST 1
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#define KFCONST 2
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/*=========================== TAS Variables =========================*/
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#define EI 1
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#define KI 2
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#define QH 3
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#define QK 4
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#define QL 5
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#define EF 6
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#define KF 7
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#define EN 8
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#define QM 9
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/*=========================== data structures =======================*/
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/**
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* data structure describing a monochromator or analyzer crystal
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*/
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typedef struct {
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double dd; /* lattice spacing */
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int ss; /* scattering sense */
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double HB1, HB2; /* horizontal curvature parameters */
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double VB1, VB2; /* vertical curvature parameters */
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} maCrystal, *pmaCrystal;
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/**
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* the machine parameters of a triple axis spectrometer
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*/
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typedef struct {
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maCrystal monochromator, analyzer;
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MATRIX UB;
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MATRIX planeNormal;
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int ss_sample; /* scattering sense sample */
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}tasMachine, *ptasMachine;
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/**
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* a position in Q - Energy space
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*/
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typedef struct {
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double ki, kf;
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double qh,qk,ql;
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double qm;
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}tasQEPosition, *ptasQEPosition;
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/**
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* A triple axis angle position
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*/
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typedef struct {
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double monochromator_two_theta;
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double a3;
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double sample_two_theta;
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double sgl;
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double sgu;
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double analyzer_two_theta;
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}tasAngles, *ptasAngles;
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/**
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* a full triple axis reflection
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*/
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typedef struct {
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tasQEPosition qe;
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tasAngles angles;
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}tasReflection, *ptasReflection;
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/*================= Monochromator/Analyzer stuff =====================*/
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/**
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* convert an energy in meV to Ki, Kf type values
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@ -32,46 +90,35 @@ double energyToK(double energy);
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double KtoEnergy(double k);
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/*----------------------------------------------------------------------*/
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/**
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* data structure describing a monochromator or analyzer crystal
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* calculate two_theta for k
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* @param data The crystals parameter
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* @param k The input K value to calculate
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* @param two_theta The resulting two_theta
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* @return 1 on success, a negative error code on failure
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*/
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typedef struct {
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double dd; /* lattice spacing */
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int ss; /* scattering sense */
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double HB1, HB2; /* horizontal curvature parameters */
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double VB1, VB2; /* vertical curvature parameters */
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} maCrystal, *pmaCrystal;
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int maCalcTwoTheta(maCrystal data, double k, double *two_theta);
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/**
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* data structure for the angles of a mono/ana calculation
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* calculate the value for the vertical curvature
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* @param data The input crystal parameters
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* @param two_theta The tow theta value for which to calculate the curvature.
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* @return A new value for the curvature.
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*/
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typedef struct{
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double theta;
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double two_theta;
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double horizontal_curvature;
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double vertical_curvature;
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}maAngles, *pmaAngles;
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/*-----------------------------------------------------------------------*/
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double maCalcVerticalCurvature(maCrystal data, double two_theta);
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/**
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* calculate the angles for the wavelength or K value k
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* calculate the value for the horizontal curvature
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* @param data The input crystal parameters
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* @param two_theta The tow theta value for which to calculate the curvature.
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* @return A new value for the curvature.
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*/
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double maCalcHorizontalCurvature(maCrystal data, double two_theta);
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/**
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* calculate the value of the K vector from the angle
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* @param data The crystals constants
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* @param angles output angles
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* @param k The wavelength or k value to calculate
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* @return 1 on success, a negative error code on failure.
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* @param two_theta The two theta read from the motor
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* @return The k value calculated from two_theta and the parameters.
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*/
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int maCalcAngles(maCrystal data, pmaAngles angles, double k);
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/**
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* calculate the value of the K vector from angles
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* @param data The crystals constants
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* @param angles The current angles
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* @param k The output K vector
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* @return 1 on success, a negative error code on failure.
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*/
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int maCalcK(maCrystal data, maAngles angles, double *k);
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double maCalcK(maCrystal data, double two_theta);
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/*======================= reciprocal space =============================*/
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typedef struct {
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double h,k,l;
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double a3, two_theta, sgu, sgl;
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double ki, kf;
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}tasReflection, *ptasReflection;
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/**
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* calculate a UB from two reflections and the cell.
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* @param cell The lattice constant of the crystal
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@ -97,41 +144,22 @@ MATRIX calcPlaneNormal(tasReflection r1, tasReflection r2);
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* @param UB The UB matrix to use
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* @param planeNormal The normal to the scattering plane to use
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* @param ss The scattering sense at the sample
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* @param r The input/output reflection
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* @param qe The desired Q Energy position
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* @param angles The resulting angles.
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* @return 1 on success, a negative error code when errors are encountered
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*/
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int calcTasQAngles(MATRIX UB, MATRIX planeNormal,
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int ss, ptasReflection r);
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int ss, tasQEPosition qe,
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ptasAngles angles);
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/**
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* calculate QH, QK, QL from the angles given
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* @param UB The UB matrix to use
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* @param r The reflection to proecess. The angles and ki, kf have to be set
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* to appropriate values before this can work properly.
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* @param angles The angles as read from the motors
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* @param qe The resulting Q Energy positions
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* @return 1 on success, a negative error code on failures.
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*/
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int calcTasQH(MATRIX UB, ptasReflection r);
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int calcTasQH(MATRIX UB, tasAngles angles, ptasQEPosition qe);
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/*======================== pulling it together.. =======================*/
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typedef struct {
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maCrystal monochromator, analyzer;
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MATRIX UB;
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MATRIX planeNormal;
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int ss_sample; /* scattering sense sample */
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tasReflection r;
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}tasMachine, *ptasMachine;
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/*---------------------------------------------------------------------*/
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typedef struct {
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maAngles monochromator;
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double a3;
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double sample_two_theta;
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double sgl;
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double sgu;
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maAngles analyzer;
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}tasAngles, *ptasAngles;
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/*-------------------------------------------------------------------*/
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typedef struct {
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double ki, kf;
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double qh,qk,ql;
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}tasQEPosition, *ptasQEPosition;
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/**
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* calculate all the tas target angles for a position in Q-Energy space.
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* @param machine The machine description
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@ -151,4 +179,45 @@ int calcAllTasAngles(ptasMachine machine, tasQEPosition qe,
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*/
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int calcTasQEPosition(ptasMachine machine, tasAngles angles,
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ptasQEPosition qe);
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/*======================== POWDER MODE =================================
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Powder mode is driving only QM, A3, SGGU, SGL will not be touched,
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only energy and sample two theta will be driven.
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========================================================================*/
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/**
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* calculate the angles for a specified energy and qm position (in qe).
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* @param machine The machine constants of the spectrometer
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* @param qe The energy, qm position desired.
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* @param angles The angles for this qe position. Please ignore a3, sgu, sgl
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* @return 1 on success, a negative error code else
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*/
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int calcTasPowderAngles(ptasMachine machine, tasQEPosition qe,
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ptasAngles angles);
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/**
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* calculate the current energy qm position from angles.
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* @param machine The spectrometer parameters.
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* @param angles The angles as read from the motors
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* @param qe The resulting qe position
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* @return 1 on success, a negative error code on errors
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*/
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int calcTasPowderPosition(ptasMachine machine, tasAngles angles,
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ptasQEPosition qe);
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/*======================= TAS Logic =====================================*/
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/**
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* set triple axis parameters, thereby taking the tasMode into account
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* @param qe The Q Energy variable set to update
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* @param tasMode The triple axis mode to apply
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* @param tasVar The TAS variable to handle. This MUST be one of the
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* defines at the top of this file.
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* @param value The value to set for tasPar
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*/
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void setTasPar(ptasQEPosition qe, int tasMode, int tasVar, double value);
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/**
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* calculates the value of a TAS parameter from qe.
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* @param qe The Q Energy psoition to extract data from
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* @parm tasVar The TAS variable to extract. This MUST be one of the
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* defines given at the top of this file.
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* @return The value of the TAS variable.
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*/
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double getTasPar(tasQEPosition qe, int tasVar);
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#endif
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