- Removed SCStart/EndBuffering as far as possible and fixed an issue with

the capture command in that it not put resluts into the Tcl interpreter.
  This broke scriptcontext scripts in complicated situations.
- Resolved some issues with the TAS calculation and negative scattering sense.
- Fixed a bug which did not reset the state to idle after checking
  reachability in confvirtualmot.c


SKIPPED:
	psi/autowin.c
	psi/eigera2.c
	psi/jvlprot.c
	psi/makefile_linux
	psi/sinqhttpopt.c
	psi/tasscan.c

commandlog.c

@@ -206,10 +206,13 @@ void WriteToCommandLogId(char *prompt, int id, char *text)
       setCircular(pTail, strdup(stamp1));
       nextCircular(pTail);
     }
-    setCircular(pTail, pCopy);
+    setCircular(pTail, strdup(pCopy));
     nextCircular(pTail);
   }
   lastId = id;
+  if(pCopy != NULL){
+    free(pCopy);
+  }
 }
 
 /*------------------------------------------------------------------------*/

confvirtualmot.c

@@ -246,6 +246,11 @@ static int ConfCheckLimits(void *pData, float fVal, char *error,
     }
   }
 
+  if(self->state != NULL){
+    free(self->state);
+  }
+  self->state = strdup("idle");
+
   iRet = LLDnodePtr2First(self->motorList);
   while (iRet != 0) {
     LLDnodeDataTo(self->motorList, &tuktuk);
@@ -652,6 +657,9 @@ int ConfigurableVirtualMotorAction(SConnection * pCon, SicsInterp * pSics,
       if (argc > 2) {
         /* set case */
         Arg2Text(argc - 2, &argv[2], pBueffel, 510);
+        if(self->state != NULL){
+	  free(self->state);
+	}
         self->state = strdup(pBueffel);
         SCSendOK(pCon);
         return 1;

conman.c

@@ -902,6 +902,7 @@ static int SCBufferWrite(SConnection * self, char *buffer, int iOut)
   if (strchr(buffer, '\n') == NULL) {
     DynStringConcat(self->data, "\n");
   }
+  testAndStoreInTcl(self, buffer, iOut);
   return 1;
 }
 
@@ -1154,7 +1155,7 @@ int SCWriteZipped(SConnection * self, char *pName, void *pData,
   compStream.zfree = (free_func) NULL;
   compStream.opaque = (voidpf) NULL;
 /*  iRet = deflateInit(&compStream, Z_DEFAULT_COMPRESSION); */
-  iRet = deflateInit(&compStream, 2);
+  iRet = deflateInit(&compStream, 1);
   if (iRet != Z_OK) {
     sprintf(outBuf, "ERROR: zlib error: %d", iRet);
     SCWrite(self, outBuf, eError);

drive.c

@@ -274,6 +274,7 @@ int DriveWrapper(SConnection * pCon, SicsInterp * pSics, void *pData,
   double dTarget;
   char pBueffel[512];
   Status eOld;
+  char *error = NULL;
 
   assert(pCon);
   assert(pSics);
@@ -318,8 +319,13 @@ int DriveWrapper(SConnection * pCon, SicsInterp * pSics, void *pData,
     }
     iRet = Start2Run(pCon, pSics, argv[i], RUNDRIVE, dTarget);
     if (!iRet) {
-      snprintf(pBueffel, 511,"ERROR: cannot run %s to %s", argv[i],
+      error = Tcl_GetStringResult(tcl_interp);
+      if(error != NULL) {
+	snprintf(pBueffel, 511,"%s", error);
+      }  else {
+	snprintf(pBueffel, 511,"ERROR: cannot run %s to %s", argv[i],
               argv[i + 1]);
+      }
       SCWrite(pCon, pBueffel, eError);
       StopExe(GetExecutor(), "ALL");
       SetStatus(eOld);

dynstring.c

@@ -153,6 +153,12 @@ int DynStringConcat(pDynString self, char *pText)
   self->iTextLen = iRequested;
   return 1;
 }
+/*--------------------------------------------------------------------------*/
+int DynStringConcatLine(pDynString self, char *pText)
+{
+  DynStringConcat(self,pText);
+  return DynStringConcatChar(self,'\n');
+}
 
 /*--------------------------------------------------------------------------*/
 int DynStringConcatChar(pDynString self, char c)

dynstring.h

@@ -49,6 +49,11 @@ int DynStringConcat(pDynString self, char *pText);
       Concatenates the string in DynString with the one supplied
       in string.
     */
+int DynStringConcatLine(pDynString self, char *pText);
+   /*
+      Concatenates the string in DynString with the one supplied
+      in string. And add a newline. 
+    */
 
 int DynStringConcatChar(pDynString self, char c);
    /*

exeman.c

@@ -1168,13 +1168,18 @@ static int printBuffer(pExeMan self, SConnection * pCon,
     return 0;
   }
   DeleteDynString(filePath);
-  SCStartBuffering(pCon);
+  filePath = CreateDynString(256,256);
+  if(filePath == NULL){
+    SCWrite(pCon,"ERROR: out of memory printing buffer",eError);
+    return 0;
+  }
   while (fgets(pLine, 511, fd) != NULL) {
-    SCWrite(pCon, pLine, eValue);
+    DynStringConcat(filePath, pLine);
+    DynStringConcatChar(filePath,'\n');
   }
   fclose(fd);
-  filePath = SCEndBuffering(pCon);
   SCWrite(pCon, GetCharArray(filePath), eValue);
+  DeleteDynString(filePath);
   return 1;
 }
 

fitcenter.c

@@ -486,17 +486,23 @@ int FitWrapper(SConnection * pCon, SicsInterp * pSics, void *pData,
   }
 
   /* print results */
-  SCStartBuffering(pCon);
+  buf = CreateDynString(256,256);
-  snprintf(pBueffel,sizeof(pBueffel)-1, "Estimated Peak Center: %f, StdDev: %f \n",
+  if(buf != NULL){
-          self->fCenter, self->fStddev);
+    snprintf(pBueffel,sizeof(pBueffel)-1, "Estimated Peak Center: %f, StdDev: %f \n",
-  SCWrite(pCon, pBueffel, eValue);
+	     self->fCenter, self->fStddev);
-  snprintf(pBueffel,sizeof(pBueffel)-1, "Maximum peak height: %ld\n", self->lPeak);
+    DynStringConcat(buf,pBueffel);
-  SCWrite(pCon, pBueffel, eValue);
+    DynStringConcatChar(buf,'\n');
-  snprintf(pBueffel,sizeof(pBueffel)-1, "Approximate FWHM: %f\n", self->FWHM);
+    snprintf(pBueffel,sizeof(pBueffel)-1, "Maximum peak height: %ld\n", self->lPeak);
-  SCWrite(pCon, pBueffel, eValue);
+    DynStringConcat(buf,pBueffel);
-  buf = SCEndBuffering(pCon);
+    DynStringConcatChar(buf,'\n');
-  if (buf != NULL) {
+    snprintf(pBueffel,sizeof(pBueffel)-1, "Approximate FWHM: %f\n", self->FWHM);
+    DynStringConcat(buf,pBueffel);
+    DynStringConcatChar(buf,'\n');
     SCWrite(pCon, GetCharArray(buf), eValue);
+    DeleteDynString(buf);
+  } else {
+    SCWrite(pCon,"ERROR: out of memory printing fitcenter results",eError);
+    return 0;
   }
 
   return 1;
@@ -549,14 +555,9 @@ int EdgeWrapper(SConnection * pCon, SicsInterp * pSics, void *pData,
    }
 
   /* print results */
-  SCStartBuffering(pCon);
   snprintf(pBueffel,sizeof(pBueffel)-1, "Estimated Edge Center: %f\n",
           self->fCenter);
   SCWrite(pCon, pBueffel, eValue);
-  buf = SCEndBuffering(pCon);
-  if (buf != NULL) {
-    SCWrite(pCon, GetCharArray(buf), eValue);
-  }
 
   return 1;
 }

hipadaba.c

@@ -484,12 +484,18 @@ static unsigned short fletcher16( char *data, size_t len)
         return result ;
 }
 /*------------------------------------------------------------------------*/
+#define MAXLEN 65536
 unsigned short getHdbCheckSum(hdbValue *val)
 {
 	char *data;
 	size_t len;
 
 	len = getHdbValueLength(*val);
+        /*
+	if(len > MAXLEN){
+	  len = MAXLEN;
+	}
+	*/
 	switch (val->dataType) {
 	  case HIPNONE:
 	    return 0;

histmem.c

@@ -982,17 +982,21 @@ void HMListOption(pHistMem self, SConnection * pCon)
   memset(pValue, 0, sizeof(pValue));
   memset(name, 0, sizeof(name));
 
-  SCStartBuffering(pCon);
+  buf = CreateDynString(256,256);
+  if(buf == NULL){
+    SCWrite(pCon,"ERROR: out of memory listing HM Options",eError);
+    return;
+  }
   iRet = StringDictGet(self->pDriv->pOption, "name", name, 19);
   if (0 == iRet) {
     strcpy(name, "*");
   }
   iRet =
-      StringDictGet(self->pDriv->pOption, "driver", pValue,
+    StringDictGet(self->pDriv->pOption, "driver", pValue,
-                    sizeof(pValue) - 1);
+		  sizeof(pValue) - 1);
   if (0 < iRet) {
     snprintf(pBuffer,sizeof(pBuffer)-1, "%s.driver = %s", name, pValue);
-    SCWrite(pCon, pBuffer, eValue);
+    DynStringConcatLine(buf,pBuffer);
   }
 
   iRet = StringDictGetAsNumber(self->pDriv->pOption, "update", &fVal);
@@ -1001,13 +1005,13 @@ void HMListOption(pHistMem self, SConnection * pCon)
   } else {
     snprintf(pBuffer,sizeof(pBuffer)-1, "%s.update = 0 (no buffering)", name);
   }
-  SCWrite(pCon, pBuffer, eValue);
+  DynStringConcatLine(buf,pBuffer);
 
   iRet = StringDictGetAsNumber(self->pDriv->pOption, "rank", &fVal);
   if (0 < iRet) {
     iRank = (int) rint(fVal);
     snprintf(pBuffer,sizeof(pBuffer)-1, "%s.rank = %d", name, iRank);
-    SCWrite(pCon, pBuffer, eValue);
+    DynStringConcatLine(buf,pBuffer);
   } else {
     iRank = 0;
   }
@@ -1016,12 +1020,12 @@ void HMListOption(pHistMem self, SConnection * pCon)
     iRet = StringDictGetAsNumber(self->pDriv->pOption, pValue, &fVal);
     if (0 < iRet) {
       snprintf(pBuffer,sizeof(pBuffer)-1, "%s.dim%1.1d = %d", name, i, (int) rint(fVal));
-      SCWrite(pCon, pBuffer, eValue);
+      DynStringConcatLine(buf,pBuffer);
     }
   }
 
   pKey =
-      StringDictGetNext(self->pDriv->pOption, pValue, sizeof(pValue) - 1);
+    StringDictGetNext(self->pDriv->pOption, pValue, sizeof(pValue) - 1);
   while (pKey != NULL) {
     iDiscard = 0;
     if (0 == strcmp("name", pKey))
@@ -1036,20 +1040,21 @@ void HMListOption(pHistMem self, SConnection * pCon)
       iDiscard = 1;
     if (0 == iDiscard) {
       snprintf(pBuffer, 511, "%s.%s = %s", name, pKey, pValue);
-      SCWrite(pCon, pBuffer, eValue);
+      DynStringConcatLine(buf,pBuffer);
     }
     pKey =
-        StringDictGetNext(self->pDriv->pOption, pValue,
+      StringDictGetNext(self->pDriv->pOption, pValue,
-                          sizeof(pValue) - 1);
+			sizeof(pValue) - 1);
   }
 
   /* Display Count Mode */
   snprintf(pBuffer,sizeof(pBuffer)-1, "%s.CountMode = %s", name, pMode[self->pDriv->eCount]);
+  DynStringConcatLine(buf,pBuffer);
   SCWrite(pCon, pBuffer, eValue);
 
   /* Display Preset */
   snprintf(pBuffer,sizeof(pBuffer)-1, "%s.preset = %f", name, self->pDriv->fCountPreset);
-  SCWrite(pCon, pBuffer, eValue);
+  DynStringConcatLine(buf,pBuffer);
 
   if (self->pDriv->data->nTimeChan > 2) {
     tofMode = 1;
@@ -1057,11 +1062,9 @@ void HMListOption(pHistMem self, SConnection * pCon)
     tofMode = 0;
   }
   snprintf(pBuffer,sizeof(pBuffer)-1, "%s.tofMode = %d", name, tofMode);
-  SCWrite(pCon, pBuffer, eValue);
+  DynStringConcatLine(buf,pBuffer);
-  buf = SCEndBuffering(pCon);
+  SCWrite(pCon, GetCharArray(buf), eValue);
-  if (buf != NULL) {
+  DeleteDynString(buf);
-    SCWrite(pCon, GetCharArray(buf), eValue);
-  }
 }
 
 /*--------------------------------------------------------------------------*/

motor.c

@@ -791,6 +791,7 @@ pMotor MotorInit(char *drivername, char *name, MotorDriver * pDriv)
   if (!pM) {
     return NULL;
   }
+  memset(pM,0,sizeof(Motor));
 
 
   /* create and initialize parameters */

motorlist.c

@@ -127,7 +127,7 @@ static int MOLICheckStatus(void *data, SConnection * pCon)
       case HWPosFault:
         /**
 	 * It is questionable if one should not set a flag here 
-         * and keep p;olling: it is not clear if this error is a
+         * and keep polling: it is not clear if this error is a
          * communication problem or that the motor really 
          * has stopped.
          */

motorsec.c

@@ -233,6 +233,9 @@ static int checkPosition(pMotor self, SConnection * pCon)
       SCPrintf(pCon, eLogError,
                "ERROR: Aborting %s after %d retries, off position by %f",
                self->name, (int) maxretry, target - hard);
+      node = GetHipadabaNode(self->pDescriptor->parNode, "status");
+      assert(node != NULL);
+      UpdateHipadabaPar(node, MakeHdbText("error"), pCon);
       return HWFault;
     }
     self->retryCount++;

reflist.c

@@ -372,18 +372,21 @@ static int NamesCmd(pSICSOBJ self, SConnection * pCon, pHdb commandNode,
   pHdb node = NULL;
   pDynString txt;
 
-  SCStartBuffering(pCon);
+  txt = CreateDynString(256,256);
-
+  if(txt == NULL){
+    SCWrite(pCon,"ERROR: out of memory listing names", eError);
+    return 0;
+  }
   node = GetHipadabaNode(self->objectNode, "data");
   node = node->child;
   while (node != NULL) {
     snprintf(buffer, 132, "%s", node->name);
-    SCWrite(pCon, buffer, eValue);
+    DynStringConcatLine(txt,buffer);
     node = node->next;
   }
 
-  txt = SCEndBuffering(pCon);
   SCWrite(pCon, GetCharArray(txt), eValue);
+  DeleteDynString(txt);
   return 1;
 }
 /*----------------------------------------------------------------------*/

scan.c

@@ -507,7 +507,8 @@ CountEntry CollectCounterData(pScanData self)
 /*---------------------------------------------------------------------------*/
 static int ScanLoop(pScanData self)
 {
-  int i, iInt, iRet, iStatus;
+  int i, iInt, iRet, iStatus, iHeaderWritten = 0;
+  
 
   assert(self);
   assert(self->pCon);
@@ -548,6 +549,18 @@ static int ScanLoop(pScanData self)
       continue;
     }
 
+    if(iHeaderWritten  == 0) {
+      iRet = self->WriteHeader(self);
+      iHeaderWritten++;
+      if (!iRet) {
+	SCWrite(self->pCon, "ERROR: cannot open data file, Scan aborted",
+		eError);
+	self->pCon = NULL;
+	self->pSics = NULL;
+	return 0;
+      }
+    }
+
 /*-------------- count */
     iRet = self->ScanCount(self, i);
     /* finished, check for interrupts. Whatever happened, user 
@@ -648,15 +661,6 @@ int DoScan(pScanData self, int iNP, int iMode, float fPreset,
   }
 
 
-  iRet = self->WriteHeader(self);
-  if (!iRet) {
-    SCWrite(self->pCon, "ERROR: cannot open data file, Scan aborted",
-            eError);
-    self->pCon = NULL;
-    self->pSics = NULL;
-    return 0;
-  }
-
   self->iActive = 1;
   iRet = ScanLoop(self);
   ScriptScanFinish(self);

scriptcontext.c

@@ -1429,7 +1429,9 @@ static char *TransactionHandler(void *actionData, char *lastReply,
     } else {
     	traceIO("sctunknown", "transreply:%s", lastReply);
     }
-    st->reply = strdup(lastReply);
+    if(lastReply != NULL){
+      st->reply = strdup(lastReply);
+    }
     return NULL;
   }
 }

sicsobj.c

@@ -38,7 +38,7 @@ void DefaultFree(void *data)
 }
 
 /*---------------------------------------------------------------------------*/
-static void saveSICSNode(pHdb node, char *prefix, FILE * fd)
+static void saveSICSNodeBroken(pHdb node, char *prefix, FILE * fd)
 {
   /*
     nodes with the property __save are saved
@@ -78,6 +78,38 @@ static void saveSICSNode(pHdb node, char *prefix, FILE * fd)
       }
       ReleaseHdbValue(&v);
     }
+  }
+  child = node->child;
+  while (child != NULL) {
+    snprintf(newprefix, 1024, "%s/%s", prefix, child->name);
+    saveSICSNodeBroken(child, newprefix, fd);
+    child = child->next;
+  }
+}
+/*---------------------------------------------------------------------------*/
+static void saveSICSNode(pHdb node, char *prefix, FILE * fd)
+{
+  char newprefix[1024], val[20];
+  char path[MAX_HDB_PATH];
+  pHdb child;
+  hdbValue v;
+  pDynString data = NULL;
+  char *cmd;
+  
+  cmd = GetHdbProp(node, "creationCmd");
+  if (cmd != NULL) {
+    GetHdbPath(node, path, sizeof path);
+    fprintf(fd, cmd, prefix, path);
+    fprintf(fd, "\n");
+  }
+  if (GetHdbProperty(node, "__save", val, 20) == 1) {
+    GetHipadabaPar(node, &v, NULL);
+    data = formatValue(v, node);
+    if (data != NULL) {
+      fprintf(fd, "%s %s\n", prefix, GetCharArray(data));
+      DeleteDynString(data);
+    }
+    ReleaseHdbValue(&v);
     child = node->child;
     while (child != NULL) {
       snprintf(newprefix, 1024, "%s/%s", prefix, child->name);
@@ -96,6 +128,33 @@ int SaveSICSOBJ(void *data, char *name, FILE * fd)
   pHdb node;
   char *cmd;
   
+  if (self != NULL && self->objectNode != NULL) {
+    node = self->objectNode->child;
+    cmd = GetHdbProp(self->objectNode, "creationCmd");
+    if (cmd != NULL) {
+      GetHdbPath(self->objectNode, path, sizeof path);
+      fprintf(fd, cmd, name, path);
+      fprintf(fd, "\n");
+    }
+    while (node != NULL) {
+      snprintf(prefix, 1024, "%s %s", name, node->name);
+      saveSICSNode(node, prefix, fd);
+      node = node->next;
+    }
+  }
+  return 1;
+}
+
+
+/*---------------------------------------------------------------------------*/
+int SaveSICSOBJBroken(void *data, char *name, FILE * fd)
+{
+  pSICSOBJ self = (pSICSOBJ) data;
+  char prefix[1024];
+  char path[MAX_HDB_PATH];
+  pHdb node;
+  char *cmd;
+  
   if (self != NULL && self->objectNode != NULL) {
     /*
     node = self->objectNode->child;

sicspoll.c

@@ -211,6 +211,7 @@ int SICSPollWrapper(SConnection * pCon, SicsInterp * pSics, void *pData,
   int status, iVal;
   char buffer[512];
   pDynString txt = NULL;
+  SConnection *dummy = NULL;
 
   assert(self != NULL);
   if (argc < 2) {
@@ -320,11 +321,17 @@ int SICSPollWrapper(SConnection * pCon, SicsInterp * pSics, void *pData,
       return 1;
     }
   } else if (strcmp(argv[1], "list") == 0) {
-    SCStartBuffering(pCon);
+    dummy = SCCreateDummyConnection(pSics);
-    printPollList(self, pCon);
+    if(dummy == NULL){
-    txt = SCEndBuffering(pCon);
+      SCWrite(pCon,"ERROR: out of memory listing polling data",eError);
+      return 0;
+    }
+    SCStartBuffering(dummy);
+    printPollList(self, dummy);
+    txt = SCEndBuffering(dummy);
     if (txt != NULL) {
       SCWrite(pCon, GetCharArray(txt), eValue);
+      SCDeleteConnection(dummy);
     }
     return 1;
   } else if (strcmp(argv[1], "poll") == 0) {

singletas.c

@@ -54,8 +54,8 @@ static int calculateTASSettings(pSingleDiff self,
   } else {
     status = 1;
   }
-  settings[0] = angles.a3;
+  settings[0] = angles.sample_two_theta;
-  settings[1] = angles.sample_two_theta;
+  settings[1] = angles.a3;
   settings[2] = angles.sgu;
   settings[3] = angles.sgl;
   if (!MotorCheckBoundary(SXGetMotor(Omega), (float) settings[0], &fHard,

statusfile.c

@@ -199,17 +199,19 @@ static int listRestoreErr(pRestoreObj self, SConnection * pCon)
   int status;
   pDynString data = NULL;
 
-  SCStartBuffering(pCon);
+  data = CreateDynString(256,256);
+  if(data == NULL){
+    SCWrite(pCon,"ERROR: out of memory listing errors",eError);
+    return 0;
+  }
   status = LLDnodePtr2First(self->errList);
   while (status == 1) {
     LLDstringData(self->errList, buffer);
-    SCWrite(pCon, buffer, eValue);
+    DynStringConcatLine(data,buffer);
     status = LLDnodePtr2Next(self->errList);
   }
-  data = SCEndBuffering(pCon);
+  SCWrite(pCon, GetCharArray(data), eValue);
-  if (data != NULL) {
+  DeleteDynString(data);
-    SCWrite(pCon, GetCharArray(data), eValue);
-  }
   return 1;
 }
 

tasdrive.c

@@ -262,9 +262,9 @@ void InvokeNewTarget(pExeList self, char *name, float target);
 
 /*--------------------------------------------------------------------------*/
 static int startTASMotor(pMotor mot, SConnection * pCon, char *name,
-                         double target, int silent)
+                         double target, int silent, int stopFixed)
 {
-  float val, fixed;
+  float val, fixed, precision = MOTPREC;
   int status = OKOK;
   char buffer[132];
   pIDrivable pDriv = NULL;
@@ -272,18 +272,21 @@ static int startTASMotor(pMotor mot, SConnection * pCon, char *name,
   pDynString mes = NULL;
 
   dum = (pDummy)mot;
+  val = getMotorValue(mot, pCon);
   if(strcmp(dum->pDescriptor->name,"Motor") == 0){
-	  val = getMotorValue(mot, pCon);
+    MotorGetPar(mot,"precision",&precision);
-	  MotorGetPar(mot, "fixed", &fixed);
+    MotorGetPar(mot, "fixed", &fixed);
-	  if (ABS(fixed - 1.0) < .1) {
+    if (ABS(fixed - 1.0) < .1) {
-		  snprintf(buffer, 131, "WARNING: %s is FIXED", name);
+      if(stopFixed == 0){
-		  SCWrite(pCon, buffer, eLog);
+	snprintf(buffer, 131, "WARNING: %s is FIXED", name);
-		  return OKOK;
+	SCWrite(pCon, buffer, eLog);
-	  }
+      }
+      return OKOK;
+    }
   }
   mot->stopped = 0;
-  if (ABS(val - target) > MOTPREC) {
+  if (ABS(val - target) > precision) {
-	pDriv = GetDrivableInterface(mot);
+    pDriv = GetDrivableInterface(mot);
     status = pDriv->SetValue(mot, pCon, (float) target);
     if(status != OKOK){
       SCPrintf(pCon,eLog,"ERROR: failed to drive %s to %f", name, target); 
@@ -302,20 +305,21 @@ static int startMotors(ptasMot self, tasAngles angles,
                        SConnection * pCon, int driveQ, int driveTilt)
 {
   double curve;
-  int status, silent;
+  int status, silent, stopFixed;
 
   silent = self->math->silent;
+  stopFixed = self->math->stopFixed;
   self->math->mustRecalculate = 1;
   /*
      monochromator
    */
   status = startTASMotor(self->math->motors[A1], pCon, "a1",
-                         angles.monochromator_two_theta / 2., silent);
+                         angles.monochromator_two_theta / 2., silent, stopFixed);
   if (status != OKOK) {
     return status;
   }
   status = startTASMotor(self->math->motors[A2], pCon, "a2",
-                         angles.monochromator_two_theta, silent);
+                         angles.monochromator_two_theta, silent,stopFixed);
   if (status != OKOK) {
     return status;
   }
@@ -324,7 +328,7 @@ static int startMotors(ptasMot self, tasAngles angles,
     curve = maCalcVerticalCurvature(self->math->machine.monochromator,
                                     angles.monochromator_two_theta);
     status = startTASMotor(self->math->motors[MCV], pCon, "mcv",
-                           curve, silent);
+                           curve, silent,stopFixed);
     if (status != OKOK) {
         SCWrite(pCon,"WARNING: monochromator vertical curvature motor failed to start", eLog);
         SCSetInterrupt(pCon,eContinue);
@@ -335,7 +339,7 @@ static int startMotors(ptasMot self, tasAngles angles,
     curve = maCalcHorizontalCurvature(self->math->machine.monochromator,
                                       angles.monochromator_two_theta);
     status = startTASMotor(self->math->motors[MCH], pCon, "mch",
-                           curve, silent);
+                           curve, silent,stopFixed);
      if (status != OKOK) {
          SCWrite(pCon,"WARNING: monochromator horizontal curvature motor failed to start", eLog);
         SCSetInterrupt(pCon,eContinue);
@@ -348,12 +352,12 @@ static int startMotors(ptasMot self, tasAngles angles,
    */
   if (self->math->tasMode != ELASTIC) {
     status = startTASMotor(self->math->motors[A5], pCon, "a5",
-                           angles.analyzer_two_theta / 2.0, silent);
+                           angles.analyzer_two_theta / 2.0, silent,stopFixed);
     if (status != OKOK) {
       return status;
     }
     status = startTASMotor(self->math->motors[A6], pCon, "a6",
-                           angles.analyzer_two_theta, silent);
+                           angles.analyzer_two_theta, silent,stopFixed);
     if (status != OKOK) {
       return status;
     }
@@ -362,7 +366,7 @@ static int startMotors(ptasMot self, tasAngles angles,
       curve = maCalcVerticalCurvature(self->math->machine.analyzer,
                                       angles.analyzer_two_theta);
       status = startTASMotor(self->math->motors[ACV], pCon, "acv",
-                             curve, silent);
+                             curve, silent,stopFixed);
       if (status != OKOK) {
           SCWrite(pCon,"WARNING: analyzer vertical curvature motor failed to start", eLog);
 	  SCSetInterrupt(pCon,eContinue);
@@ -372,7 +376,7 @@ static int startMotors(ptasMot self, tasAngles angles,
       curve = maCalcHorizontalCurvature(self->math->machine.analyzer,
                                         angles.analyzer_two_theta);
       status = startTASMotor(self->math->motors[ACH], pCon, "ach",
-                             curve, silent);
+                             curve, silent,stopFixed);
       if (status != OKOK) {
           SCWrite(pCon,"WARNING: analyzer horizontal curvature motor failed to start", eLog);
 	  SCSetInterrupt(pCon,eContinue);
@@ -388,24 +392,24 @@ static int startMotors(ptasMot self, tasAngles angles,
      crystal
    */
   status = startTASMotor(self->math->motors[A3], pCon, "a3",
-                         angles.a3, silent);
+                         angles.a3, silent,stopFixed);
   if (status != OKOK) {
     return status;
   }
   status = startTASMotor(self->math->motors[A4], pCon, "a4",
-                         angles.sample_two_theta, silent);
+                         angles.sample_two_theta, silent,stopFixed);
   if (status != OKOK) {
     return status;
   }
 
   if (driveTilt == 1) {
     status = startTASMotor(self->math->motors[SGL], pCon, "sgl",
-                           angles.sgl, silent);
+                           angles.sgl, silent,stopFixed);
     if (status != OKOK) {
       return status;
     }
     status = startTASMotor(self->math->motors[SGU], pCon, "sgu",
-                           angles.sgu, silent);
+                           angles.sgu, silent,stopFixed);
     if (status != OKOK) {
       return status;
     }
@@ -524,6 +528,7 @@ static int calculateAndDrive(ptasMot self, SConnection * pCon)
                 "WARNING: scattering vector is out of plane and you disallowed me to try to drive there",
                 eWarning);
       }
+      mat_free(scatteringPlaneNormal);
     }
     driveTilt = 0;
   }
@@ -623,19 +628,20 @@ static int startQMMotors(ptasMot self, tasAngles angles,
 {
   float val;
   double curve;
-  int status, silent;
+  int status, silent, stopFixed;
 
   silent = self->math->silent;
+  stopFixed = self->math->stopFixed;
   /*
      monochromator
    */
   status = startTASMotor(self->math->motors[A1], pCon, "a1",
-                         angles.monochromator_two_theta / 2., silent);
+                         angles.monochromator_two_theta / 2., silent,stopFixed);
   if (status != OKOK) {
     return status;
   }
   status = startTASMotor(self->math->motors[A2], pCon, "a2",
-                         angles.monochromator_two_theta, silent);
+                         angles.monochromator_two_theta, silent,stopFixed);
   if (status != OKOK) {
     return status;
   }
@@ -644,7 +650,7 @@ static int startQMMotors(ptasMot self, tasAngles angles,
     curve = maCalcVerticalCurvature(self->math->machine.monochromator,
                                     angles.monochromator_two_theta);
     status = startTASMotor(self->math->motors[MCV], pCon, "mcv",
-                           curve, silent);
+                           curve, silent,stopFixed);
     if (status != OKOK) {
       return status;
     }
@@ -654,7 +660,7 @@ static int startQMMotors(ptasMot self, tasAngles angles,
     curve = maCalcHorizontalCurvature(self->math->machine.monochromator,
                                       angles.monochromator_two_theta);
     status = startTASMotor(self->math->motors[MCH], pCon, "mch",
-                           curve, silent);
+                           curve, silent,stopFixed);
     if (status != OKOK) {
       return status;
     }
@@ -665,12 +671,12 @@ static int startQMMotors(ptasMot self, tasAngles angles,
      analyzer
    */
   status = startTASMotor(self->math->motors[A5], pCon, "a5",
-                         angles.analyzer_two_theta / 2.0, silent);
+                         angles.analyzer_two_theta / 2.0, silent,stopFixed);
   if (status != OKOK) {
     return status;
   }
   status = startTASMotor(self->math->motors[A6], pCon, "a6",
-                         angles.analyzer_two_theta, silent);
+                         angles.analyzer_two_theta, silent,stopFixed);
   if (status != OKOK) {
     return status;
   }
@@ -679,7 +685,7 @@ static int startQMMotors(ptasMot self, tasAngles angles,
     curve = maCalcVerticalCurvature(self->math->machine.analyzer,
                                     angles.analyzer_two_theta);
     status = startTASMotor(self->math->motors[ACV], pCon, "acv",
-                           curve, silent);
+                           curve, silent,stopFixed);
     if (status != OKOK) {
       return status;
     }
@@ -688,7 +694,7 @@ static int startQMMotors(ptasMot self, tasAngles angles,
     curve = maCalcHorizontalCurvature(self->math->machine.analyzer,
                                       angles.analyzer_two_theta);
     status = startTASMotor(self->math->motors[ACH], pCon, "ach",
-                           curve, silent);
+                           curve, silent,stopFixed);
     if (status != OKOK) {
       return status;
     }
@@ -698,7 +704,7 @@ static int startQMMotors(ptasMot self, tasAngles angles,
      crystal
    */
   status = startTASMotor(self->math->motors[A4], pCon, "a4",
-                         angles.sample_two_theta, silent);
+                         angles.sample_two_theta, silent,stopFixed);
   if (status != OKOK) {
     return status;
   }

tasscanub.c

@@ -266,11 +266,12 @@ static int TASUBHeader(pScanData self)
   fprintf(self->fd, "DATE_: %s\n", pWork);
   fprintf(self->fd, "TITLE: %s\n", GetVarText("title"));
   fprintf(self->fd, "COMND: %s\n", GetVarText("lastscancommand"));
+  tasUpdate(self->pCon,pTAS->ub);
   fprintf(self->fd,
           "POSQE: QH=%8.4f, QK=%8.4f, QL=%8.4f, EN=%8.4f, UN=MEV\n",
           pTAS->ub->current.qh,
           pTAS->ub->current.qk,
-          pTAS->ub->current.qk, getTasPar(pTAS->ub->current, EN));
+          pTAS->ub->current.ql, getTasPar(pTAS->ub->current, EN));
   /*
      build the steps line
    */
@@ -662,6 +663,11 @@ static int TASUBScanDrive(pScanData self, int iPoint)
   /*
      loop through all the scan variables
    */
+  if(iPoint == 0 && pTAS->iFast != 1) {
+    pTAS->ub->stopFixed = 0;
+  } else {
+    pTAS->ub->stopFixed = 1;
+  }
   for (i = 0; i < self->iScanVar; i++) {
     DynarGet(self->pScanVar, i, &pPtr);
     pVar = (pVarEntry) pPtr;
@@ -675,6 +681,7 @@ static int TASUBScanDrive(pScanData self, int iPoint)
     }
   }
 
+
   /*
      now wait for our motors to arrive, thereby ignoring any error 
      returns. DO NOT WAIT if fast scan!
@@ -684,6 +691,7 @@ static int TASUBScanDrive(pScanData self, int iPoint)
   } else {
     status = Wait4Success(GetExecutor());
     pTAS->ub->silent = 0;
+    pTAS->ub->stopFixed = 0;
   }
   return 1;
 }
@@ -789,6 +797,7 @@ static int TASUBCollect(pScanData self, int iPoint)
 
   /* loop over all scan variables */
   status = 1;
+  memset(&sCount,0,sizeof(CountEntry));
 
   pTAS->ub->silent = 0;
   for (i = 0; i < self->iScanVar; i++) {

tasub.c

@@ -21,6 +21,7 @@
 #include "trigd.h"
 #include "tasub.h"
 #include "tasdrive.h"
+#include "vector.h"
 /*------------------- motor indexes in motor data structure ---------*/
 #define A1   0
 #define A2   1
@@ -154,6 +155,7 @@ static ptasUB MakeTasUB()
   pNew->pDes = CreateDescriptor("TAS-UB");
   pNew->machine.UB = mat_creat(3, 3, UNIT_MATRIX);
   pNew->machine.planeNormal = mat_creat(3, 1, ZERO_MATRIX);
+  pNew->machine.planeNormal[2][0] = 1.;
   pNew->reflectionList = LLDcreate(sizeof(tasReflection));
   if (!pNew->pDes || !pNew->machine.UB || pNew->reflectionList < 0 ||
       pNew->machine.planeNormal == NULL) {
@@ -893,7 +895,13 @@ int findReflection(int list, int idx, ptasReflection r)
   }
   return 0;
 }
-
+/*-----------------------------------------------------------------*/
+void setStopFixed(ptasUB self, int val)
+{
+  if(val == 0 || val ==1) {
+    self->stopFixed = val;
+  }
+}
 /*------------------------------------------------------------------*/
 static void listUB(ptasUB self, SConnection * pCon)
 {
@@ -1179,7 +1187,9 @@ static int calcAuxUB(ptasUB self, SConnection * pCon, SicsInterp * pSics,
     mat_free(self->machine.planeNormal);
   }
   self->machine.UB = UB;
-  self->machine.planeNormal = calcPlaneNormal(r1, r2);
+  self->machine.planeNormal = makeVector();
+  self->machine.planeNormal[2][0] = 1.; 
+  /* self->machine.planeNormal = calcPlaneNormal(r1, r2); */
   self->ubValid = 1;
   SCparChange(pCon);
   SCSendOK(pCon);
@@ -1260,7 +1270,9 @@ static int calcUB(ptasUB self, SConnection * pCon, SicsInterp * pSics,
     mat_free(self->machine.planeNormal);
   }
   self->machine.UB = UB;
-  self->machine.planeNormal = calcPlaneNormal(r1, r2);
+  /* self->machine.planeNormal = calcPlaneNormalQ(UB,r1, r2);*/
+  self->machine.planeNormal = makeVector();
+  self->machine.planeNormal[2][0] = 1.; 
   self->r1 = r1;
   self->r2 = r2;
   self->ubValid = 1;
@@ -1321,6 +1333,62 @@ static int calcUBFromCell(ptasUB self, SConnection * pCon)
   mat_free(B);
   return 1;
 }
+/*-----------------------------------------------------------------*/
+static int calcTestUBWrap(ptasUB self, SConnection *pCon, 
+		      int argc, char *argv[])
+{
+  MATRIX UB;
+  double om, sgu, sgl;
+  tasReflection r1, r2;  
+
+
+  if(argc < 5) {
+    SCWrite(pCon,"ERROR: not enough arguments to test UB", eError);
+    return 0;
+  }
+
+  om = atof(argv[2]);
+  sgu = atof(argv[3]);
+  sgl = atof(argv[4]);
+
+  UB = calcTestUB(self->cell, om, sgu, sgl);
+  if(UB == NULL){
+    SCWrite(pCon,"ERROR: out of memory or invalid cell in test UB", eError);
+    return 0;
+  }
+  mat_free(self->machine.UB);
+  self->machine.UB = UB;
+
+  /*
+  r1.qe.qh = 1.0;
+  r1.qe.qk = .0;
+  r1.qe.ql = .0;
+
+  r2.qe.qh = .0;
+  r2.qe.qk = 1.0;
+  r2.qe.ql = .0;
+  
+  self->machine.planeNormal = calcPlaneNormalQ(UB,r1,r2);
+  self->machine.planeNormal[0][0] = -Sind(sgl);
+  self->machine.planeNormal[1][0] = Cosd(sgl)*Sind(sgu);
+  self->machine.planeNormal[2][0] = Cosd(sgl)*Cosd(sgu);
+  SCPrintf(pCon,eValue,"Normal = %f,%f,%f\n", self->machine.planeNormal[0][0],
+	   self->machine.planeNormal[1][0],
+	   self->machine.planeNormal[2][0]);
+
+  self->machine.planeNormal = calcTestNormal(sgu,sgl);
+  SCPrintf(pCon,eValue,"Alternative normal = %f,%f,%f\n", self->machine.planeNormal[0][0],
+	   self->machine.planeNormal[1][0],
+	   self->machine.planeNormal[2][0]);
+  */
+  self->machine.planeNormal[0][0] = .0;
+  self->machine.planeNormal[1][0] = .0;
+  self->machine.planeNormal[2][0] = 1.0;
+
+
+  SCSendOK(pCon);
+  return 1;
+}
 
 /*------------------------------------------------------------------*/
 static int calcRefAngles(ptasUB self, SConnection * pCon,
@@ -1409,7 +1477,7 @@ static int calcRefAngles(ptasUB self, SConnection * pCon,
     snprintf(pBueffel, 255, " %8.2f   %8.2f %8.2f %8.2f %8.2f   %8.2f",
              angles.monochromator_two_theta,
              angles.a3, angles.sample_two_theta,
-             angles.sgl, angles.sgu, angles.analyzer_two_theta);
+             angles.sgu, angles.sgl, angles.analyzer_two_theta);
   } else {
     snprintf(pBueffel, 255, " %8.2f   %8.2f %8.2f %8.2f %8.2f",
              angles.monochromator_two_theta,
@@ -1941,6 +2009,8 @@ int TasUBWrapper(SConnection * pCon, SicsInterp * pSics, void *pData,
     return addAuxReflection(self, pCon, pSics, argc, argv);
   } else if (strcmp(argv[1], "makeubfromcell") == 0) {
     return calcUBFromCell(self, pCon);
+  } else if (strcmp(argv[1], "maketestub") == 0) {
+    return calcTestUBWrap(self, pCon, argc, argv);
   } else if (strcmp(argv[1], "calcang") == 0) {
     return calcRefAngles(self, pCon, pSics, argc, argv);
   } else if (strcmp(argv[1], "calcqe") == 0) {

tasub.h

@@ -32,6 +32,7 @@
                 tasReflection r1, r2;
                 int ubValid;
                 int silent;
+		int stopFixed; /* flag to stop multiple fixed messages in scans*/
                 char *updater;
 }tasUB, *ptasUB;
 
@@ -54,4 +55,5 @@ int TasUBWrapper(SConnection *pCon,SicsInterp *pSics, void *pData,
 
 int findReflection(int list, int idx, ptasReflection r);
 int tasUpdate(SConnection *pCon, ptasUB self);
+void setStopFixed(ptasUB self, int val);
 #endif 

tasublib.c

@@ -202,22 +202,45 @@ static MATRIX uFromAngles(double om, double sgu, double sgl)
   if (u == NULL) {
     return NULL;
   }
-  vectorSet(u, 0, -Cosd(sgl) * Cosd(om));
+  vectorSet(u, 0, Cosd(om) * Cosd(sgl));
-  vectorSet(u, 1, Cosd(sgu) * Sind(om) - Sind(sgu) * Sind(sgl) * Cosd(om));
+  vectorSet(u, 1, -Sind(om) * Cosd(sgu) + Cosd(om)* Sind(sgl)*Sind(sgu));
   vectorSet(u, 2,
-            -Sind(sgu) * Sind(om) - Cosd(sgu) * Sind(sgl) * Cosd(om));
+            Sind(om) * Sind(sgu) + Cosd(om) * Sind(sgl) * Cosd(sgu));
 
   return u;
 }
 
 /*---------------------------------------------------------------*/
-MATRIX calcTasUVectorFromAngles(tasReflection r)
+MATRIX calcTasUVectorFromAngles(tasReflection rr)
 {
-  double theta, om;
+  double theta, om, ss;
+  MATRIX m;
+  tasReflection r;
+ 
+
+  r = rr;
+  if(r.angles.sample_two_theta < .0){
+    ss = -1.;
+  } else {
+    ss = 1.;
+  }
+  r.angles.sample_two_theta = ABS(r.angles.sample_two_theta);
+  
 
   theta = calcTheta(r.qe.ki, r.qe.kf, r.angles.sample_two_theta);
-  om = r.angles.a3 - theta;
+  om = r.angles.a3 - ss*theta;
-  return uFromAngles(om, r.angles.sgu, r.angles.sgl);
+  /*
+    This here may have to do with scattering sense.....
+  if (om < -180.){
+    om += 180;
+  }
+  */
+  m = uFromAngles(om, r.angles.sgu, ss*r.angles.sgl); 
+  /*
+  printf("Q = %f, %f, %f inwards Uv = %f %f %f, om = %f\n", r.qe.qh, r.qe.qk, r.qe.ql, 
+	 m[0][0], m[1][0],m[2][0], om); 
+  */
+  return m ;
 }
 
 /*-----------------------------------------------------------------------------*/
@@ -316,11 +339,13 @@ MATRIX calcPlaneNormal(tasReflection r1, tasReflection r2)
        The plane normal has to point to the stars and not to the earth
        core in order for the algorithm to work.
      */
+    /*
     if (planeNormal[2][0] < .0) {
       for (i = 0; i < 3; i++) {
         planeNormal[i][0] = -1. * planeNormal[i][0];
       }
     }
+    */
     mat_free(u1);
     mat_free(u2);
     normalizeVector(planeNormal); 
@@ -329,6 +354,164 @@ MATRIX calcPlaneNormal(tasReflection r1, tasReflection r2)
     return NULL;
   }
 }
+/*-------------------------------------------------------------------*/
+MATRIX calcPlaneNormalQOld(MATRIX UB, tasReflection r1, tasReflection r2)
+{
+  MATRIX u1 = NULL, u2 = NULL, planeNormal = NULL;
+  int i;
+
+  u1 = tasReflectionToQC(r1.qe, UB);
+  u2 = tasReflectionToQC(r2.qe,UB);
+  if (u1 != NULL && u2 != NULL) {
+    planeNormal = vectorCrossProduct(u1, u2);
+    /*
+       The plane normal has to point to the stars and not to the earth
+       core in order for the algorithm to work.
+     */
+    /*
+    if (planeNormal[2][0] < .0) {
+      for (i = 0; i < 3; i++) {
+        planeNormal[i][0] = -1. * planeNormal[i][0];
+      }
+    }
+    */
+    mat_free(u1);
+    mat_free(u2);
+    normalizeVector(planeNormal); 
+    return planeNormal;
+  } else {
+    return NULL;
+  }
+}
+/*-------------------------------------------------------------------*/
+MATRIX calcPlaneNormalQ(MATRIX UB, tasReflection r1, tasReflection r2)
+{
+  MATRIX q1 = NULL, q2 = NULL, q3 = NULL, planeNormal = NULL;
+  int i;
+
+  q1 = makeVector();
+  q2 = makeVector();
+  q1[0][0] = r1.qe.qh;
+  q1[1][0] = r1.qe.qk;
+  q1[2][0] = r1.qe.ql;
+  q2[0][0] = r2.qe.qh;
+  q2[1][0] = r2.qe.qk;
+  q2[2][0] = r2.qe.ql;
+
+  q3 = vectorCrossProduct(q1,q2);
+  planeNormal = mat_mul(UB,q3);
+  normalizeVector(planeNormal); 
+  if (planeNormal[2][0] < .0) {
+    for (i = 0; i < 3; i++) {
+      planeNormal[i][0] = -1. * planeNormal[i][0];
+    }
+  }
+  mat_free(q1);
+  mat_free(q2);
+  mat_free(q3);
+
+  planeNormal[0][0] *= -1.;
+  planeNormal[1][0] *= -1.;
+
+  return planeNormal;
+}
+/*--------------------------------------------------------------------*/
+MATRIX calcTestUB(lattice cell, double om, double sgu, double sgl)
+{
+  MATRIX B, M, N, OM, UB;
+  int status;
+
+  /*
+   * create matrices
+   */
+  B = mat_creat(3, 3, ZERO_MATRIX);
+
+  status = calculateBMatrix(cell, B);
+  if (status < 0) {
+    return NULL;
+  }
+
+  M = mat_creat(3, 3, ZERO_MATRIX);
+  N = mat_creat(3, 3, ZERO_MATRIX);
+  OM = mat_creat(3, 3, ZERO_MATRIX);
+ 
+  if(M == NULL || N == NULL || OM == NULL){
+    mat_free(B);
+    return NULL;
+  }
+
+  N[0][0] = 1.;
+  N[1][1] = Cosd(sgu);
+  N[1][2] = -Sind(sgu);
+  N[2][1] = Sind(sgu);
+  N[2][2] = Cosd(sgu);
+
+  M[0][0] = Cosd(sgl);
+  M[0][2] = Sind(sgl);
+  M[1][1] = 1.;
+  M[2][0] = -Sind(sgl);
+  M[2][2] = Cosd(sgl);
+
+  OM[0][0] = Cosd(om);
+  OM[0][1] = -Sind(om);
+  OM[1][0] = Sind(om);
+  OM[1][1] = Cosd(om);
+  OM[2][2] = 1.;
+
+  /*
+    Multiply....
+  */
+  UB = mat_mul(OM,M);
+  UB = mat_mul(UB,N);
+  UB = mat_mul(UB,B);
+
+  mat_free(OM);
+  mat_free(N);
+  mat_free(M);
+  mat_free(B);
+
+  return UB;
+}
+/*--------------------------------------------------------------------*/
+MATRIX calcTestNormal(double sgu, double sgl)
+{
+  MATRIX M, N, Z, NORM;
+  int status;
+
+
+  M = mat_creat(3, 3, ZERO_MATRIX);
+  N = mat_creat(3, 3, ZERO_MATRIX);
+  Z = mat_creat(3, 1, ZERO_MATRIX);
+ 
+
+  if(M == NULL || N == NULL || Z == NULL){
+     return NULL;
+  }
+
+  N[0][0] = 1.;
+  N[1][1] = Cosd(sgu);
+  N[1][2] = -Sind(sgu);
+  N[2][1] = Sind(sgu);
+  N[2][2] = Cosd(sgu);
+
+  M[0][0] = Cosd(sgl);
+  M[0][2] = Sind(sgl);
+  M[1][1] = 1.;
+  M[2][0] = -Sind(sgl);
+  M[2][2] = Cosd(sgl);
+
+  Z[2][0] = 1.;
+
+  NORM = mat_inv(N);
+  NORM = mat_mul(NORM,mat_inv(M));
+  NORM = mat_mul(NORM,Z);
+
+  mat_free(N);
+  mat_free(M);
+  mat_free(Z);
+
+  return NORM;
+}
 
 /*--------------------------------------------------------------------*/
 MATRIX calcTasUBFromTwoReflections(lattice cell, tasReflection r1,
@@ -345,11 +528,18 @@ MATRIX calcTasUBFromTwoReflections(lattice cell, tasReflection r1,
      calculate the B matrix and the HT matrix
    */
   B = mat_creat(3, 3, ZERO_MATRIX);
+
   status = calculateBMatrix(cell, B);
   if (status < 0) {
     *errorCode = status;
     return NULL;
   }
+  /*
+  printf("B-matrix\n");
+  mat_dump(B);
+  printf("\n");
+  */
+
   h1 = tasReflectionToHC(r1.qe, B);
   h2 = tasReflectionToHC(r2.qe, B);
   if (h1 == NULL || h2 == NULL) {
@@ -469,6 +659,19 @@ static MATRIX buildTVMatrix(MATRIX U1V, MATRIX U2V)
     T[i][1] = U2V[i][0];
     T[i][2] = T3V[i][0];
   }
+  /*
+  printf("\n");
+  printf("U1V\n");
+  mat_dump(U1V);
+  printf("U2V\n");
+  mat_dump(U2V);
+  printf("U3V\n");
+  mat_dump(T3V);
+  printf("TV-matrix\n");
+  mat_dump(T);
+  printf("\n");
+  */
+
   killVector(T3V);
   return T;
 }
@@ -487,6 +690,10 @@ static MATRIX buildRMatrix(MATRIX UB, MATRIX planeNormal,
     return NULL;
   }
   normalizeVector(U1V);
+  /*
+  printf("Q = %f, %f, %f outwards Uv = %f %f %f\n", qe.qh, qe.qk, qe.ql, 
+	 U1V[0][0], U1V[1][0],U1V[2][0]); 
+  */
 
   U2V = vectorCrossProduct(planeNormal, U1V); 
   if (U2V == NULL) {
@@ -514,6 +721,12 @@ static MATRIX buildRMatrix(MATRIX UB, MATRIX planeNormal,
     *errorCode = BADUBORQ;
   }
 
+  /*
+  printf("TV after inversion\n");
+  mat_dump(TVINV);
+  printf("\n");
+  */
+
   killVector(U1V);
   killVector(U2V);
   mat_free(TV);
@@ -544,7 +757,7 @@ int calcTasQAngles(MATRIX UB, MATRIX planeNormal, int ss, double a3offset,
 		tasQEPosition qe, ptasAngles angles)
 {
   MATRIX R, QC;
-  double om, q, theta, cos2t;
+  double om, q, theta, cos2t, cossgl;
   int errorCode = 1;
 
   R = buildRMatrix(UB, planeNormal, qe, &errorCode);
@@ -552,8 +765,10 @@ int calcTasQAngles(MATRIX UB, MATRIX planeNormal, int ss, double a3offset,
     return errorCode;
   }
 
+  /*    mat_dump(R);  */
 
-  angles->sgl = Asind(-R[2][0]);
+  cossgl = sqrt(R[0][0]*R[0][0]+R[1][0]*R[1][0]);
+  angles->sgl = ss*Atan2d(-R[2][0],cossgl);
   if (ABS(angles->sgl - 90.) < .5) {
     mat_free(R);
     return BADUBORQ;
@@ -573,8 +788,8 @@ int calcTasQAngles(MATRIX UB, MATRIX planeNormal, int ss, double a3offset,
      R-matrix definition.
    */
 
-  om = Atan2d(R[1][0], R[0][0]);
+  om = Atan2d(R[1][0]/cossgl, R[0][0]/cossgl);
-  angles->sgu = Atan2d(R[2][1], R[2][2]);
+  angles->sgu = Atan2d(R[2][1]/cossgl, R[2][2]/cossgl);
 
   QC = tasReflectionToQC(qe, UB);
   if (QC == NULL) {
@@ -582,6 +797,10 @@ int calcTasQAngles(MATRIX UB, MATRIX planeNormal, int ss, double a3offset,
     return UBNOMEMORY;
   }
   
+  /*
+   printf("Q = %f, %f, %f calculated om = %f\n", qe.qh, qe.qk, qe.ql, om);  
+  */
+
   q = vectorLength(QC);
   q = 2. * PI * vectorLength(QC);
   cos2t =
@@ -592,20 +811,23 @@ int calcTasQAngles(MATRIX UB, MATRIX planeNormal, int ss, double a3offset,
     killVector(QC);
     return TRIANGLENOTCLOSED;
   }
+  theta = calcTheta(qe.ki, qe.kf, Acosd(cos2t));
   angles->sample_two_theta = ss * Acosd(cos2t);
 
-  theta = calcTheta(qe.ki, qe.kf, angles->sample_two_theta);
 
-  angles->a3 = om + theta + a3offset;
+  angles->a3 = om + ss*theta + a3offset;
   /*
      put a3 into -180, 180 properly. We can always turn by 180 because the
      scattering geometry is symmetric in this respect. It is like looking at
      the scattering plane from the other side
    */
+  /*
   angles->a3 -= 180.;
   if (angles->a3 < -180 - a3offset) {
     angles->a3 += 360.;
   }
+  */
+  angles->a3 = fmod(angles->a3 + ss*180.,360.) - ss*180.;
 
   killVector(QC);
   mat_free(R);

tasublib.h

@@ -154,6 +154,17 @@ MATRIX calcTasUVectorFromAngles(tasReflection r);
  * @return a negative error code on failure, 1 on success
  */
 int calcTwoTheta(MATRIX B, tasQEPosition ref, int ss, double *twoTheta);
+/**
+ * calculate a UB from the cell and values for the displacement of 
+ * the crystal in om, sgu and sgl. This is for software testing.  
+ * @param cell The lattice constant of the crystal
+ * @param om A theoretical omega
+ * @param sgu A theoreticl sgu
+ * @param sgl A theoretical sgl
+ * @return a UB matix on sucess, or NULL on failure. Failure means out of memory 
+ * or an invalid cell.
+ */
+MATRIX calcTheoreticalTasUB(lattice cell, double om, double sgu, double sgl);
 /**
  * calculate a UB from two reflections and the cell.
  * @param cell The lattice constant of the crystal
@@ -166,6 +177,24 @@ int calcTwoTheta(MATRIX B, tasQEPosition ref, int ss, double *twoTheta);
  */
 MATRIX calcTasUBFromTwoReflections(lattice cell, tasReflection r1,
                                    tasReflection r2, int *errorCode);
+/**
+ * calculate a test plane normal 
+ * @param sgu A theoretical plane tilt on upper
+ * @param sgl A theoretical plane tilt on lower
+ * @return a normal on sucess, or NULL on failure. This can only happen 
+ * when out of memory
+ */
+MATRIX calcTestNormal(double sgu, double sgl);
+/**
+ * calculate a test UB 
+ * @param cell The lattice constant of the crystal
+ * @param om A theoretical om for the crystal
+ * @param sgu A theoretical plane tilt on upper
+ * @param sgl A theoretical plane tilt on lower
+ * @return a UB matix on sucess, or NULL on failure. This can only happen 
+ * when out of memory or with a bad cell
+ */
+MATRIX calcTestUB(lattice cell, double om, double sgu, double sgl);
 /**
  * calcluate the normal to the plane describe by the two reflections r1, r2
  * @param r1 first reflection
@@ -173,6 +202,16 @@ MATRIX calcTasUBFromTwoReflections(lattice cell, tasReflection r1,
  * @return a plane normal on success, NULL else
  */
 MATRIX calcPlaneNormal(tasReflection r1, tasReflection r2);
+/**
+ * calcluate the normal to the plane describe by the two reflections r1, r2
+ * This uses a different path in that it calculates the Qv from the UB and 
+ * the Q values. 
+ * @param UB The UB to use
+ * @param r1 first reflection
+ * @param r2 second reflection
+ * @return a plane normal on success, NULL else
+ */
+MATRIX calcPlaneNormalQ(MATRIX UB, tasReflection r1, tasReflection r2);
 /**
  * calculate the angles for r. R's h, k, l, ki, kf must be set, the angles
  * will be updated.

vector.c

@@ -123,17 +123,14 @@ MATRIX vectorCrossProduct(MATRIX v1, MATRIX v2)
     return NULL;
   }
   vectorSet(result, 0,
-            vectorGet(v1, 1) * vectorGet(v2, 2) - vectorGet(v1,
+            vectorGet(v1, 1) * vectorGet(v2, 2) 
-                                                            2) *
+	    - vectorGet(v1,2) * vectorGet(v2, 1));
-            vectorGet(v2, 1));
   vectorSet(result, 1,
-            vectorGet(v1, 2) * vectorGet(v2, 0) - vectorGet(v1,
+            vectorGet(v1, 2) * vectorGet(v2, 0) 
-                                                            0) *
+	      - vectorGet(v1,0) * vectorGet(v2, 2));
-            vectorGet(v2, 2));
   vectorSet(result, 2,
-            vectorGet(v1, 0) * vectorGet(v2, 1) - vectorGet(v1,
+            vectorGet(v1, 0) * vectorGet(v2, 1) 
-                                                            1) *
+                - vectorGet(v1, 1) * vectorGet(v2, 0));
-            vectorGet(v2, 0));
   return result;
 }