- Many fixes to the triple axis stuff

* update after a1-a6 drive
  * intrduction of targets
- POLDI writing
- Moved HKL calculation 4 TRICS to fourlib

fourlib.h

@@ -0,0 +1,173 @@
+/*
+                         F O U R L I B
+
+ This is a library of routines for doing transformations between the 
+ various coordinate systems used on a four circle diffractometer as 
+ used for neutron or X-ray diffraction. The coordinate systems used are
+ described in  Busing, Levy, Acta Cryst (1967),22, 457 ff.
+
+ Generally we have:
+ 
+ Z = [OM][CHI][PHI][UB]h
+
+ where: Z is  a vector in the diffractometer coordinate system
+        OM CHI PHI are rotation matrices around the respective angles
+        UB is the UB matrix
+        h is the reciprocal lattice vector. 
+
+ The vector Z cannot only be expressed in terms of the angles stt, om, chi,
+ and phi put also by polar coordinates gamma and nu.
+
+ This code is a reimplementation based on a F77 code from Gary McIntyre, ILL
+ and code extracted from the ILL MAD control program. 
+
+  Mark Koennecke, November - December 2001
+*/
+#ifndef FOURLIB
+#define FOURLIB
+#include "matrix/matrix.h"
+
+/**---------------------- PSD specific code -------------------------------
+  Some diffractometers are equipped with position sensitive detectors.  
+  The scheme to handle them implemented here is to convert the detector
+  coordinates to polar coordinates gamma and nu and use the normal beam
+  functions for any further work. A lot of information about the detector 
+  is required for this transformation which is held in the datastruture 
+  as defined below
+  ----------------------------------------------------------------------*/ 
+
+typedef struct{
+  double xScale;     /* scale factor pixel --> mm for x */
+  double yScale;     /* scale factor pixel --> mm for y */
+  double distance;   /* distance sample detector in mm */
+  double gamma;      /* gamma == two theta position of the detector */
+  double nu;         /* tilt angle of the detector */
+  int xZero;         /* x pixel coordinate of the zero point of the detector */
+  int yZero;         /* y pixel coordinate of the zero point of the detector */
+} psdDescription;
+/**
+ * det2pol converts the pixel coordinates x and y on the detector described
+ * by psd to polar coordinates gamma and nu.
+*/
+
+void det2pol(psdDescription *psd, int x, int y, double *gamma, double *nu);
+
+/**
+ * pol2det converts the polar coordinates gamma and nu to detector coordinates
+ *  x and y on the detector described psd
+*/
+void pol2det(psdDescription *psd, double gamma, double nu, int *x, int *y);
+
+/*------------------------------------------------------------------------
+  calculation of four circle diffractometer angles stt, om, chi and phi
+  in order to put a reflection onto the equatorial plane and into a
+  diffraction condition. In order to cope with angular restrictions 
+  imposed for instance by sample environment devices or the eulerian 
+  cradle itself various variations are implemented.
+
+  These routines start at or target the vector Z1:
+
+    Z1 = UB *h 
+ ------------------------------------------------------------------------*/
+/**
+ * calculate stt, om, chi and phi in order to put z1 into the bissecting
+ *  diffraction condition. Returns 1 on success and 0 if z1 and lambda
+ *  were invalid. The m version acts upon a matrix.
+*/
+int z1ToBisecting(double lambda, double z1[3], double *stt, double *om,
+                                                 double *chi, double *phi);
+
+int z1mToBisecting(double lambda, MATRIX z1, double *stt, double *om,
+                                                 double *chi, double *phi);
+/**
+ * calculates diffraction angles to put z1 into a detector with a given
+ *  offset in omega against the bisecting position. Useful for tweaking
+ *  if omega is restricted.
+*/
+int z1ToAnglesWithOffset(double lambda, MATRIX z1,double omOffset,
+                         double *stt,  double *om, 
+                         double *chi, double *phi);
+ 
+/**
+ * calculates a PSI for a given offset in omega from the bisecting
+ *  position. This can be useful for tweaking reflections to be 
+ *  measurable at omega restricted diffractometers.
+*/ 
+int psiForOmegaOffset(MATRIX z1, double omOffset, 
+			       double chi, double phi, double *psi);
+
+/**
+ * calculate new setting angles for a psi rotation. Input are the angles
+ * calculated for a bisecting diffraction position. Output angles represent
+ * the new psi setting. This is the method described by Busing & Levy as the
+ * version when om == theta is psi = 0. 
+*/
+void rotatePsi(double om, double chi, double phi, double psi,
+               double *newom, double *newchi, double *newphi);
+
+/**
+ * calculate z1 from angles stt, om, chi and phi. The angles must not describe
+ * a bissecting position, however it is required that the angles describe a
+ * reflection measured in the horizontal plane.
+*/
+void z1FromAngles(double lambda, double stt, double om, 
+		  double chi, double phi, double z1[3]);
+/*-----------------------------------------------------------------------
+  Normal beam calculations. Here the diffraction vector is expressed as
+  polar angles gamma and nu and omega. 
+  -----------------------------------------------------------------------*/
+/**
+ * calculate the normal beam angles omeganb, gamma and nu from the four
+ * circle angles twotheta, omega, chi and phi. 
+*/
+int bisToNormalBeam(double twotheta, double omega, double chi, double phi,
+		double *omeganb, double *gamma, double *nu);
+
+/**
+ * calculate the vector z1 from the normal beam angles omega, gamma and nu.
+ * chi and phi either do not exist or are 0. 
+*/
+void z1FromNormalBeam(double lambda, double omega, double gamma, 
+		      double nu, double z1[3]);
+
+/**
+ * calculate z1 from four circle angles plus gamma, nu
+*/
+void z1FromAllAngles(double lambda, double omega, double gamma, 
+		     double nu, double chi, double phi, double z1[3]);
+/*------------------------------------------------------------------------
+              Utility
+-------------------------------------------------------------------------*/
+/**
+ * return val put into the 0 - 360 degree range
+*/
+double circlify(double val);
+
+/**
+ * converts a vector to a Matrix type
+*/
+MATRIX vectorToMatrix(double z[3]);
+
+/**
+ * converts Matrix zm to the vector z
+*/
+void matrixToVector(MATRIX zm, double z[3]);
+
+/**
+ * chi rotation matrix for chi into chim
+*/
+void chimat(MATRIX chim, double chi);
+
+/**
+ * phi rotation matrix for phi into phim
+*/
+void phimat(MATRIX phim, double phi);
+#endif   
+
+
+
+
+
+
+
+