- Added missing files

2009-02-17 08:40:55 +00:00
parent 3d6070ee6f
commit f9121c1afe
9 changed files with 2779 additions and 0 deletions
--- a/singlediff.h
+++ b/singlediff.h
@@ -0,0 +1,91 @@
+/**
+ * This header file defines the polymorphic functions required for 
+ * a single crystal diffractmeter, regardless of the geometry used. 
+ * This exists in order to support the multiple modes of the TRICS
+ * instrument. But can be useful elsewhere. This code assumes that
+ * all motor driving happens via a motorlist as defined in 
+ * motorlist.*
+ * 
+ * copyright: see file COPYRIGHT
+ * 
+ * Mark Koennecke, August 2008
+ */
+#ifndef SINGLEDIFF_H_
+#define SINGLEDIFF_H_
+#include "matrix/matrix.h"
+
+#define REFERR -17001
+
+/**
+ * A polymorphic structure for single crystal calculations.
+ */
+typedef struct __SingleDiff {
+  int motList;       /** A list of associated real motors */
+  void *userData;       /** a pointer to a user data structure */
+  MATRIX UB;       /** The UB matrix */
+  double lambda;       /** The wavelength to use */
+  double cell[6];       /** The unit cell */
+        /**
+	 * \brief calculates the settings for an input reciprocal space 
+	 * position hkl
+	 * \param self A pointer to this data structure
+	 * \param hkl The input reciprocal space position
+	 * \param settings The angles calculated.
+	 * \return 1 on success, 0 on error
+	 */
+  int (*calculateSettings) (struct __SingleDiff * self,
+                            double *hkl, double *settings);
+        /**
+	 * \brief copy setting angles into motor list
+	 * \param self A pointer to this data structure
+	 * \param settings The angles to prime the motor list with
+	 * \return 1 on success, 0 on error
+	 */
+  int (*settingsToList) (struct __SingleDiff * self, double *settings);
+        /**
+	 * \brief read all angles and convert to reciprocal space
+	 * \param self A pointer to this data structure
+	 * \param Result hkl values 
+	 * \return 1 on success, 0 on error
+	 */
+  int (*hklFromAngles) (struct __SingleDiff * self, double *hkl);
+        /**
+	 * \brief Take angles given and convert to reciprocal space
+	 * \param self A pointer to this data structure
+	 * \param Result hkl values 
+	 * \return 1 on success, 0 on error
+	 */
+  int (*hklFromAnglesGiven) (struct __SingleDiff * self, double *settings,
+                             double *hkl);
+        /**
+	 * \brief calculate a UB matrix from two reflections (and the cell)
+	 * \param self A pointer to this data structure
+	 * \param refid1 first reflection ID
+	 * \param refid2 second reflection ID
+	 * \return NULL on error, a matrix else
+	 */
+   MATRIX(*calcUBFromTwo) (struct __SingleDiff * self,
+                           char *refid1, char *refid2, int *err);
+        /**
+	 * \brief calculate a UB matrix from three reflections 
+	 * \param self A pointer to this data structure
+	 * \param refid1 first reflection ID
+	 * \param refid2 second reflection ID
+	 * \param refid3 third reflection ID
+	 * \return NULL on error, a matrix else
+	 */
+   MATRIX(*calcUBFromThree) (struct __SingleDiff * self,
+                             char *refid1, char *refid2, char *refid3,
+                             int *err);
+        /**
+	 * \brief calculate the scattering vector from the angles.
+	 * \param refid The id of the reflection to calculate the
+	 *  scattering vector for
+	 * \param z1 output scattering vector
+	 * \return 1 on success, o on fail
+	 */
+  int (*calcZ1) (struct __SingleDiff * self, char *refid, double z1[3]);
+} SingleDiff, *pSingleDiff;
+
+MATRIX calculateScatteringVector(pSingleDiff pSingle, double hkl[3]);
+#endif                          /*SINGLEDIFF_H_ */