PSI sics-cvs-psi-complete-tree-post-site-support

hkl.c

@@ -18,6 +18,10 @@
    three detectors.
 
    Mark Koennecke, May 2002
+
+   Added handling of the chi ==0 or chi == 180 degree case to tryTweakOmega
+
+   Mark Koennecke, December 2003
 -----------------------------------------------------------------------------*/
 #include <math.h>
 #include <ctype.h>
@@ -30,11 +34,16 @@
 #include "matrix/matrix.h"
 #include "hkl.h"
 #include "hkl.i"
-
+#include "splitter.h"
 /*
   the space we leave in omega in order to allow for a scan to be done 
 */
 #define SCANBORDER 3.
+/*
+  the tolerance in chi we give before we allow to fix omega with phi
+*/
+#define CHITOLERANCE 3.
+#define ABS(x) (x < 0 ? -(x) : (x)) 
 /*-------------------------------------------------------------------------*/
    static int HKLSave(void *pData, char *name, FILE *fd)
    {
@@ -466,9 +475,22 @@ static int checkNormalBeam(double om, double *gamma, double nu,
    }
    return 0;
 }
+/*--------------------------------------------------------------------*/
+static int chiVertical(double chi){
+  if(ABS(chi - .0) < CHITOLERANCE){
+    return 1;
+  }
+  if(ABS(chi - 180.0) < CHITOLERANCE){
+    return 1;
+  }
+  return 0;
+} 
 /*-----------------------------------------------------------------------
   tryOmegaTweak tries to calculate a psi angle in order to put an
   offending omega back into range.
+
+  This routine also handles the special case when chi ~ 0 or chi ~ 180.
+  Then it is possible to fix a omega problem by turing in phi.
   -----------------------------------------------------------------------*/
 static int tryOmegaTweak(pHKL self, MATRIX z1, double *stt, double *om, 
 			 double *chi, double *phi){
@@ -506,6 +528,22 @@ static int tryOmegaTweak(pHKL self, MATRIX z1, double *stt, double *om,
   omOffset = *om - omTarget;
   omOffset = -omOffset;
   
+  /*
+    check for the special case of chi == 0 or chi == 180
+  */
+  if(chiVertical(*chi)){
+    dumstt = *stt;
+    offom = omTarget;
+    offchi = *chi;
+    offphi = *phi - omOffset;
+    if(checkBisecting(self,&dumstt,offom,offchi,offphi)){
+      *om = offom;
+      *chi = offchi;
+      *phi = offphi;
+      return 1;
+    }
+  }
+
   /*
     calculate angles with omega offset 
   */
@@ -603,16 +641,25 @@ static int calculateBisecting(MATRIX z1, pHKL self, SConnection *pCon,
   }
 
   /*
-    giving up!
+    giving up! But calculate one more time in order to show Jurg where 
+    he should be. 
   */
-  for(i = 0; i < 4; i++)
-  {
-    fSet[i] = .0;
+  z1mToBisecting(self->fLambda,z1,&stt,&om,&chi,&phi);
+  if(iRetry == 1){
+    rotatePsi(om,chi,phi,psi,&ompsi,&chipsi,&phipsi);
+    fSet[0] = (float)stt;
+    fSet[1] = (float)ompsi;
+    fSet[2] = (float)chipsi;
+    fSet[3]= (float)phipsi;
+  } else {
+    fSet[0] = (float)stt;
+    fSet[1] = (float)om;
+    fSet[2] = (float)chi;
+    fSet[3]= (float)phi;
   }
+
   return 0;
 }
-/*----------------------------------------------------------------------*/
-#define ABS(x) (x < 0 ? -(x) : (x)) 
 /*-----------------------------------------------------------------------*/
 static int calculateNormalBeam(MATRIX z1, pHKL self, SConnection *pCon,
 			      float fSet[4], double myPsi, int iRetry)
@@ -1140,29 +1187,6 @@ ente:
      return 1;
   }
 /*--------------------------------------------------------------------------*/
-  int isNumeric(char *pText)
-  {
-    int i, ii, iGood;
-    static char pNum[13] = {"1234567890.+-"};
-    
-    for(i = 0; i < strlen(pText); i++)
-    {
-      for(ii = 0; ii < 13; ii++)
-      {
-        iGood = 0;
-        if(pText[i] == pNum[ii])
-        {
-          iGood = 1;
-          break;
-        }
-      }
-      if(!iGood)
-      {
-          return 0;
-      }
-    }    
-    return 1;
-  }  
                                   
 /*--------------------------------------------------------------------------*/
   static int GetCommandData(int argc, char *argv[], float fHKL[3], 
@@ -1226,6 +1250,7 @@ ente:
      char pBueffel[512];
      float fUB[9], fPsi, fVal;
      float fHKL[3], fSet[4];
+     double dVal;
      pHKL self = NULL;
      CommandList *pCom = NULL;
      pDummy pDum = NULL;
@@ -1292,6 +1317,34 @@ ente:
            return 1;
         }                        
      }
+     else if(strcmp(argv[1],"fromangles") == 0)
+     {
+	 if(argc < 6)
+	 {
+	     SCWrite(pCon,
+              "ERROR: need stt, om, chi,phi to calculate HKL from angles",
+		     eError);
+	     return 0;
+         }
+         for(i = 0; i < 4; i++)
+	 {
+	     iRet = Tcl_GetDouble(InterpGetTcl(pSics),argv[i+2],&dVal);
+	     if(iRet != TCL_OK)
+	     {
+		 snprintf(pBueffel,511,"ERROR: failed to convert %s to number",
+			  argv[i+2]);
+		 SCWrite(pCon,pBueffel,eError);
+		 return 0;
+             }
+	     fSet[i] = (float)dVal;
+         }
+         angle2HKL(self,(double)fSet[0],(double)fSet[1],
+                    (double)fSet[2],(double)fSet[3],fHKL);
+         sprintf(pBueffel,"HKL from angles:  %8.4f %8.4f %8.4f ",
+                   fHKL[0], fHKL[1],fHKL[2]);
+         SCWrite(pCon,pBueffel,eValue);
+         return 1;
+     }
 /*------------- lambda */
      else if(strcmp(argv[1],"lambda") == 0)
      {
@@ -1491,14 +1544,14 @@ ente:
        }
        else
        {
-         sprintf(pBueffel," theta = %f, omega = %f, chi = %f, phi = %f",
+         sprintf(pBueffel," 2-theta = %f, omega = %f, chi = %f, phi = %f",
                fSet[0], fSet[1], fSet[2],fSet[3]);
           SCWrite(pCon,pBueffel,eValue);
        }
        if(!iRet)
        {
          SCWrite(pCon,
-           "WARNING: Settings violate motor limits or cannot be calculated",
+           "WARNING: Cannot drive to the hkl of your desire",
            eWarning); 
          return 0;
        }